N-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane

C125H154N32O11 — CID 159421481

IUPACN-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane
SMILESC.C.C.C.C.CC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCC(C)C)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCC3CCCO3)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCc3ccccn3)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCc3cccnc3)c(C)c12
InChIInChI=1S/2C25H25N7O2.C24H28N6O3.2C23H28N6O2.5CH4/c1-15-5-6-18(24(33)30-19-7-8-19)10-21(15)31-23-22-16(2)20(13-32(22)29-14-28-23)25(34)27-12-17-4-3-9-26-11-17;1-15-6-7-17(24(33)30-18-8-9-18)11-21(15)31-23-22-16(2)20(13-32(22)29-14-28-23)25(34)27-12-19-5-3-4-10-26-19;1-14-5-6-16(23(31)28-17-7-8-17)10-20(14)29-22-21-15(2)19(12-30(21)27-13-26-22)24(32)25-11-18-4-3-9-33-18;1-13(2)10-24-23(31)18-11-29-20(15(18)4)21(25-12-26-29)28-19-9-16(6-5-14(19)3)22(30)27-17-7-8-17;1-5-14(3)26-23(31)18-11-29-20(15(18)4)21(24-12-25-29)28-19-10-16(7-6-13(19)2)22(30)27-17-8-9-17;;;;;/h3-6,9-11,13-14,19H,7-8,12H2,1-2H3,(H,27,34)(H,30,33)(H,28,29,31);3-7,10-11,13-14,18H,8-9,12H2,1-2H3,(H,27,34)(H,30,33)(H,28,29,31);5-6,10,12-13,17-18H,3-4,7-9,11H2,1-2H3,(H,25,32)(H,28,31)(H,26,27,29);5-6,9,11-13,17H,7-8,10H2,1-4H3,(H,24,31)(H,27,30)(H,25,26,28);6-7,10-12,14,17H,5,8-9H2,1-4H3,(H,26,31)(H,27,30)(H,24,25,28);5*1H4/t;;;;14-;;;;;/m....0...../s1
InChIKeyLPUZZJRSOAPBQL-LNWGBZBJSA-N
MW2280.82 g/mol
LogP19.56
Rot. Bonds35

About N-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane

N-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane (PubChem CID 159421481) has the molecular formula C125H154N32O11 and a molecular weight of 2280.82 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane
PubChem CID159421481
Molecular FormulaC125H154N32O11
Molecular Weight2280.82 g/mol
Exact Mass2279.25
IUPAC NameN-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane
SMILESC.C.C.C.C.CC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCC(C)C)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCC3CCCO3)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCc3ccccn3)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCc3cccnc3)c(C)c12
InChIInChI=1S/2C25H25N7O2.C24H28N6O3.2C23H28N6O2.5CH4/c1-15-5-6-18(24(33)30-19-7-8-19)10-21(15)31-23-22-16(2)20(13-32(22)29-14-28-23)25(34)27-12-17-4-3-9-26-11-17;1-15-6-7-17(24(33)30-18-8-9-18)11-21(15)31-23-22-16(2)20(13-32(22)29-14-28-23)25(34)27-12-19-5-3-4-10-26-19;1-14-5-6-16(23(31)28-17-7-8-17)10-20(14)29-22-21-15(2)19(12-30(21)27-13-26-22)24(32)25-11-18-4-3-9-33-18;1-13(2)10-24-23(31)18-11-29-20(15(18)4)21(25-12-26-29)28-19-9-16(6-5-14(19)3)22(30)27-17-7-8-17;1-5-14(3)26-23(31)18-11-29-20(15(18)4)21(24-12-25-29)28-19-10-16(7-6-13(19)2)22(30)27-17-8-9-17;;;;;/h3-6,9-11,13-14,19H,7-8,12H2,1-2H3,(H,27,34)(H,30,33)(H,28,29,31);3-7,10-11,13-14,18H,8-9,12H2,1-2H3,(H,27,34)(H,30,33)(H,28,29,31);5-6,10,12-13,17-18H,3-4,7-9,11H2,1-2H3,(H,25,32)(H,28,31)(H,26,27,29);5-6,9,11-13,17H,7-8,10H2,1-4H3,(H,24,31)(H,27,30)(H,25,26,28);6-7,10-12,14,17H,5,8-9H2,1-4H3,(H,26,31)(H,27,30)(H,24,25,28);5*1H4/t;;;;14-;;;;;/m....0...../s1
InChIKeyLPUZZJRSOAPBQL-LNWGBZBJSA-N
XLogP19.56
TPSA537.11 Ų
H-Bond Donors15
H-Bond Acceptors33
Rotatable Bonds35
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002280.82
LogP ≤ 519.56
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1033

Analyze N-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane with MolForge

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Related Compounds

US20240368194, Example 44
CID 171572352
N-[3-(difluoromethyl)-1-[4-[[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]piperidin-1-yl]methyl]phenyl]pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146598562
N-[3-(difluoromethyl)-1-[4-[[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]phenyl]methylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146598725
N-[3-(difluoromethyl)-1-[4-[[2-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]phenyl]ethylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599296
N-[3-(difluoromethyl)-1-[4-[[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]phenyl]methyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599456
3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-N-[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazole-4-carboxamide
CID 156523637
N-[3-(difluoromethyl)-1-[4-[9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157125399
N-[3-(difluoromethyl)-1-[1-[3-[3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]propoxy]propyl]piperidin-4-yl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157132435
N-[3-(difluoromethyl)-1-[4-[[[(2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157194608
N-[3-(difluoromethyl)-1-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157203838
N-[3-(difluoromethyl)-1-[4-[[[(2S)-4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]morpholin-2-yl]methyl-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157303165
5-[7-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyridine-3-carboxamide;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-[(5-methylpyrazin-2-yl)methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[1-(pyrazin-2-ylmethyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 157437695

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane?
The IUPAC name of N-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane (CID 159421481) is N-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane is C.C.C.C.C.CC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCC(C)C)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCC3CCCO3)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCc3ccccn3)c(C)c12.Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)NCc3cccnc3)c(C)c12.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane?
The InChIKey is LPUZZJRSOAPBQL-LNWGBZBJSA-N. The full InChI is InChI=1S/2C25H25N7O2.C24H28N6O3.2C23H28N6O2.5CH4/c1-15-5-6-18(24(33)30-19-7-8-19)10-21(15)31-23-22-16(2)20(13-32(22)29-14-28-23)25(34)27-12-17-4-3-9-26-11-17;1-15-6-7-17(24(33)30-18-8-9-18)11-21(15)31-23-22-16(2)20(13-32(22)29-14-28-23)25(34)27-12-19-5-3-4-10-26-19;1-14-5-6-16(23(31)28-17-7-8-17)10-20(14)29-22-21-15(2)19(12-30(21)27-13-26-22)24(32)25-11-18-4-3-9-33-18;1-13(2)10-24-23(31)18-11-29-20(15(18)4)21(25-12-26-29)28-19-9-16(6-5-14(19)3)22(30)27-17-7-8-17;1-5-14(3)26-23(31)18-11-29-20(15(18)4)21(24-12-25-29)28-19-10-16(7-6-13(19)2)22(30)27-17-8-9-17;;;;;/h3-6,9-11,13-14,19H,7-8,12H2,1-2H3,(H,27,34)(H,30,33)(H,28,29,31);3-7,10-11,13-14,18H,8-9,12H2,1-2H3,(H,27,34)(H,30,33)(H,28,29,31);5-6,10,12-13,17-18H,3-4,7-9,11H2,1-2H3,(H,25,32)(H,28,31)(H,26,27,29);5-6,9,11-13,17H,7-8,10H2,1-4H3,(H,24,31)(H,27,30)(H,25,26,28);6-7,10-12,14,17H,5,8-9H2,1-4H3,(H,26,31)(H,27,30)(H,24,25,28);5*1H4/t;;;;14-;;;;;/m....0...../s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane?
N-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane has a molecular weight of 2280.82 g/mol, XLogP of 19.56, 35 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(oxolan-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-(pyridin-3-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;methane is sourced from PubChem (CID 159421481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).