N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

C142H170N38O13 — CID 159107511

IUPACN-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESC.C.C.C.CCCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C.CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4=NCC=C4)ccc3C)c2c1C.CCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4=NCC=C4)ccc3C)c2c1C.CCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C.COCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)N[C@@H](C)c3ccccc3)c(C)c12
InChIInChI=1S/C27H28N6O2.C23H25N7O2.C23H28N6O2.C22H23N7O2.C22H26N6O3.C21H24N6O2.4CH4/c1-16-9-10-20(26(34)31-21-11-12-21)13-23(16)32-25-24-17(2)22(14-33(24)29-15-28-25)27(35)30-18(3)19-7-5-4-6-8-19;1-4-9-25-23(32)17-12-30-20(15(17)3)21(26-13-27-30)28-18-11-16(8-7-14(18)2)22(31)29-19-6-5-10-24-19;1-4-5-10-24-23(31)18-12-29-20(15(18)3)21(25-13-26-29)28-19-11-16(7-6-14(19)2)22(30)27-17-8-9-17;1-4-23-22(31)16-11-29-19(14(16)3)20(25-12-26-29)27-17-10-15(8-7-13(17)2)21(30)28-18-6-5-9-24-18;1-13-4-5-15(21(29)26-16-6-7-16)10-18(13)27-20-19-14(2)17(11-28(19)25-12-24-20)22(30)23-8-9-31-3;1-4-22-21(29)16-10-27-18(13(16)3)19(23-11-24-27)26-17-9-14(6-5-12(17)2)20(28)25-15-7-8-15;;;;/h4-10,13-15,18,21H,11-12H2,1-3H3,(H,30,35)(H,31,34)(H,28,29,32);5-8,11-13H,4,9-10H2,1-3H3,(H,25,32)(H,24,29,31)(H,26,27,28);6-7,11-13,17H,4-5,8-10H2,1-3H3,(H,24,31)(H,27,30)(H,25,26,28);5-8,10-12H,4,9H2,1-3H3,(H,23,31)(H,24,28,30)(H,25,26,27);4-5,10-12,16H,6-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27);5-6,9-11,15H,4,7-8H2,1-3H3,(H,22,29)(H,25,28)(H,23,24,26);4*1H4/t18-;;;;;;;;;/m0........./s1
InChIKeyKEBOPGCWIWYNDB-GKBZFITOSA-N
MW2617.17 g/mol
LogP21.08
Rot. Bonds40

About N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (PubChem CID 159107511) has the molecular formula C142H170N38O13 and a molecular weight of 2617.17 g/mol. Its IUPAC name is N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
PubChem CID159107511
Molecular FormulaC142H170N38O13
Molecular Weight2617.17 g/mol
Exact Mass2615.38
IUPAC NameN-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESC.C.C.C.CCCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C.CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4=NCC=C4)ccc3C)c2c1C.CCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4=NCC=C4)ccc3C)c2c1C.CCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C.COCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)N[C@@H](C)c3ccccc3)c(C)c12
InChIInChI=1S/C27H28N6O2.C23H25N7O2.C23H28N6O2.C22H23N7O2.C22H26N6O3.C21H24N6O2.4CH4/c1-16-9-10-20(26(34)31-21-11-12-21)13-23(16)32-25-24-17(2)22(14-33(24)29-15-28-25)27(35)30-18(3)19-7-5-4-6-8-19;1-4-9-25-23(32)17-12-30-20(15(17)3)21(26-13-27-30)28-18-11-16(8-7-14(18)2)22(31)29-19-6-5-10-24-19;1-4-5-10-24-23(31)18-12-29-20(15(18)3)21(25-13-26-29)28-19-11-16(7-6-14(19)2)22(30)27-17-8-9-17;1-4-23-22(31)16-11-29-19(14(16)3)20(25-12-26-29)27-17-10-15(8-7-13(17)2)21(30)28-18-6-5-9-24-18;1-13-4-5-15(21(29)26-16-6-7-16)10-18(13)27-20-19-14(2)17(11-28(19)25-12-24-20)22(30)23-8-9-31-3;1-4-22-21(29)16-10-27-18(13(16)3)19(23-11-24-27)26-17-9-14(6-5-12(17)2)20(28)25-15-7-8-15;;;;/h4-10,13-15,18,21H,11-12H2,1-3H3,(H,30,35)(H,31,34)(H,28,29,32);5-8,11-13H,4,9-10H2,1-3H3,(H,25,32)(H,24,29,31)(H,26,27,28);6-7,11-13,17H,4-5,8-10H2,1-3H3,(H,24,31)(H,27,30)(H,25,26,28);5-8,10-12H,4,9H2,1-3H3,(H,23,31)(H,24,28,30)(H,25,26,27);4-5,10-12,16H,6-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27);5-6,9-11,15H,4,7-8H2,1-3H3,(H,22,29)(H,25,28)(H,23,24,26);4*1H4/t18-;;;;;;;;;/m0........./s1
InChIKeyKEBOPGCWIWYNDB-GKBZFITOSA-N
XLogP21.08
TPSA636.47 Ų
H-Bond Donors18
H-Bond Acceptors39
Rotatable Bonds40
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002617.17
LogP ≤ 521.08
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide with MolForge

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Related Compounds

N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10251577
4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10002351
N-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10477230
4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methyl-N-[(1R)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10139311
4-[5-(ethylcarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10023556
N-ethyl-4-[5-(2-methoxyethylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 46938615
4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10002229
5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 46939848
4-[5-[(3-fluorobenzoyl)amino]-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 59853632
[4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]-propylcarbamic acid
CID 71166261
3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N,4-dimethylbenzamide;3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-ethyl-4-methylbenzamide;3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-propylbenzamide;N,4-dimethyl-3-[[5-methyl-6-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
CID 160528935
[cyclopropyl-[3-[[6-(ethylcarbamoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzoyl]carbamoyl]oxymethyl 2-aminopropanoate
CID 89162767

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The IUPAC name of N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (CID 159107511) is N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.
What is the SMILES notation for N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The canonical SMILES for N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is C.C.C.C.CCCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C.CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4=NCC=C4)ccc3C)c2c1C.CCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4=NCC=C4)ccc3C)c2c1C.CCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C.COCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)N[C@@H](C)c3ccccc3)c(C)c12.
What is the InChIKey of N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The InChIKey is KEBOPGCWIWYNDB-GKBZFITOSA-N. The full InChI is InChI=1S/C27H28N6O2.C23H25N7O2.C23H28N6O2.C22H23N7O2.C22H26N6O3.C21H24N6O2.4CH4/c1-16-9-10-20(26(34)31-21-11-12-21)13-23(16)32-25-24-17(2)22(14-33(24)29-15-28-25)27(35)30-18(3)19-7-5-4-6-8-19;1-4-9-25-23(32)17-12-30-20(15(17)3)21(26-13-27-30)28-18-11-16(8-7-14(18)2)22(31)29-19-6-5-10-24-19;1-4-5-10-24-23(31)18-12-29-20(15(18)3)21(25-13-26-29)28-19-11-16(7-6-14(19)2)22(30)27-17-8-9-17;1-4-23-22(31)16-11-29-19(14(16)3)20(25-12-26-29)27-17-10-15(8-7-13(17)2)21(30)28-18-6-5-9-24-18;1-13-4-5-15(21(29)26-16-6-7-16)10-18(13)27-20-19-14(2)17(11-28(19)25-12-24-20)22(30)23-8-9-31-3;1-4-22-21(29)16-10-27-18(13(16)3)19(23-11-24-27)26-17-9-14(6-5-12(17)2)20(28)25-15-7-8-15;;;;/h4-10,13-15,18,21H,11-12H2,1-3H3,(H,30,35)(H,31,34)(H,28,29,32);5-8,11-13H,4,9-10H2,1-3H3,(H,25,32)(H,24,29,31)(H,26,27,28);6-7,11-13,17H,4-5,8-10H2,1-3H3,(H,24,31)(H,27,30)(H,25,26,28);5-8,10-12H,4,9H2,1-3H3,(H,23,31)(H,24,28,30)(H,25,26,27);4-5,10-12,16H,6-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27);5-6,9-11,15H,4,7-8H2,1-3H3,(H,22,29)(H,25,28)(H,23,24,26);4*1H4/t18-;;;;;;;;;/m0........./s1.
What are the key properties of N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide has a molecular weight of 2617.17 g/mol, XLogP of 21.08, 40 rotatable bonds, 18 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-ethyl-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-N-(2-methoxyethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;N-ethyl-5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane;5-methyl-4-[2-methyl-5-(2H-pyrrol-5-ylcarbamoyl)anilino]-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is sourced from PubChem (CID 159107511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).