1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide

C88H89BrCl3F4N23O14 — CID 161355403

IUPAC1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide
SMILESCc1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)[C@H](C)CO.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CO)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(F)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cncc(Br)n2)C2CC(N)C2)c2ccccc12
InChIInChI=1S/C23H23ClFN5O4.C23H25ClFN5O4.C22H20ClF2N5O3.C20H21BrN8O3/c24-17-3-1-2-14(21(17)25)9-27-19(32)10-29(15-5-6-15)20(33)11-30-18-7-4-13(12-31)8-16(18)22(28-30)23(26)34;1-13-6-7-18-16(8-13)22(23(26)34)28-30(18)11-20(33)29(14(2)12-31)10-19(32)27-9-15-4-3-5-17(24)21(15)25;23-16-3-1-2-12(20(16)25)9-27-18(31)10-29(14-5-6-14)19(32)11-30-17-7-4-13(24)8-15(17)21(28-30)22(26)33;21-15-7-24-8-16(25-15)26-17(30)9-28(12-5-11(22)6-12)18(31)10-29-14-4-2-1-3-13(14)19(27-29)20(23)32/h1-4,7-8,15,31H,5-6,9-12H2,(H2,26,34)(H,27,32);3-8,14,31H,9-12H2,1-2H3,(H2,26,34)(H,27,32);1-4,7-8,14H,5-6,9-11H2,(H2,26,33)(H,27,31);1-4,7-8,11-12H,5-6,9-10,22H2,(H2,23,32)(H,25,26,30)/t;14-;;/m.1../s1
InChIKeyVOMADQLZKGVBFJ-BHHCLOTLSA-N
MW1955.08 g/mol
LogP6.51
Rot. Bonds33

About 1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide

1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide (PubChem CID 161355403) has the molecular formula C88H89BrCl3F4N23O14 and a molecular weight of 1955.08 g/mol. Its IUPAC name is 1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide
PubChem CID161355403
Molecular FormulaC88H89BrCl3F4N23O14
Molecular Weight1955.08 g/mol
Exact Mass1951.51
IUPAC Name1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide
SMILESCc1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)[C@H](C)CO.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CO)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(F)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cncc(Br)n2)C2CC(N)C2)c2ccccc12
InChIInChI=1S/C23H23ClFN5O4.C23H25ClFN5O4.C22H20ClF2N5O3.C20H21BrN8O3/c24-17-3-1-2-14(21(17)25)9-27-19(32)10-29(15-5-6-15)20(33)11-30-18-7-4-13(12-31)8-16(18)22(28-30)23(26)34;1-13-6-7-18-16(8-13)22(23(26)34)28-30(18)11-20(33)29(14(2)12-31)10-19(32)27-9-15-4-3-5-17(24)21(15)25;23-16-3-1-2-12(20(16)25)9-27-18(31)10-29(14-5-6-14)19(32)11-30-17-7-4-13(24)8-15(17)21(28-30)22(26)33;21-15-7-24-8-16(25-15)26-17(30)9-28(12-5-11(22)6-12)18(31)10-29-14-4-2-1-3-13(14)19(27-29)20(23)32/h1-4,7-8,15,31H,5-6,9-12H2,(H2,26,34)(H,27,32);3-8,14,31H,9-12H2,1-2H3,(H2,26,34)(H,27,32);1-4,7-8,14H,5-6,9-11H2,(H2,26,33)(H,27,31);1-4,7-8,11-12H,5-6,9-10,22H2,(H2,23,32)(H,25,26,30)/t;14-;;/m.1../s1
InChIKeyVOMADQLZKGVBFJ-BHHCLOTLSA-N
XLogP6.51
TPSA533.54 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds33
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001955.08
LogP ≤ 56.51
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide with MolForge

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Related Compounds

CID 157559274
CID 157559274
2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopentylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 158230689
2-[3-acetyl-5-[2-(dimethylamino)pyrimidin-5-yl]indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[(3-aminocyclobutyl)-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-4-hydroxybutan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indazole-3-carboxamide
CID 159840368
CID 160172935
CID 160172935
3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]-3,3-difluoropiperidine-1-carboxamide;N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-(dimethylamino)pyrimidin-5-yl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylcarbamoylamino)indazole-3-carboxamide
CID 161080538
CID 157558869
CID 157558869
5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indazole-3-carboxamide
CID 157560306
1-[2-[benzyl-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-hydroxy-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide;3-[[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]indole-1-carboxamide
CID 157599190
CID 158243812
CID 158243812
1-[2-[[2-(3-Bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-hydroxypropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[cyclopropyl-[2-(2-fluoro-3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 159882621
5-amino-1-[2-[[2-[[(1R)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[2-[(3-chloro-2-fluorophenyl)methylamino]ethyl-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)ethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 159932286
1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(1S)-4-(3-chloro-2-fluorophenyl)-1-cyclopropyl-2-oxobutyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-cyclopropyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[(2S)-5-(3-chloro-2-fluorophenyl)-1-hydroxy-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 159940903

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide?
The IUPAC name of 1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide (CID 161355403) is 1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide is Cc1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)[C@H](C)CO.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(CO)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(F)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)Nc2cncc(Br)n2)C2CC(N)C2)c2ccccc12.
What is the InChIKey of 1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide?
The InChIKey is VOMADQLZKGVBFJ-BHHCLOTLSA-N. The full InChI is InChI=1S/C23H23ClFN5O4.C23H25ClFN5O4.C22H20ClF2N5O3.C20H21BrN8O3/c24-17-3-1-2-14(21(17)25)9-27-19(32)10-29(15-5-6-15)20(33)11-30-18-7-4-13(12-31)8-16(18)22(28-30)23(26)34;1-13-6-7-18-16(8-13)22(23(26)34)28-30(18)11-20(33)29(14(2)12-31)10-19(32)27-9-15-4-3-5-17(24)21(15)25;23-16-3-1-2-12(20(16)25)9-27-18(31)10-29(14-5-6-14)19(32)11-30-17-7-4-13(24)8-15(17)21(28-30)22(26)33;21-15-7-24-8-16(25-15)26-17(30)9-28(12-5-11(22)6-12)18(31)10-29-14-4-2-1-3-13(14)19(27-29)20(23)32/h1-4,7-8,15,31H,5-6,9-12H2,(H2,26,34)(H,27,32);3-8,14,31H,9-12H2,1-2H3,(H2,26,34)(H,27,32);1-4,7-8,14H,5-6,9-11H2,(H2,26,33)(H,27,31);1-4,7-8,11-12H,5-6,9-10,22H2,(H2,23,32)(H,25,26,30)/t;14-;;/m.1../s1.
What are the key properties of 1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide?
1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide has a molecular weight of 1955.08 g/mol, XLogP of 6.51, 33 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-aminocyclobutyl)-[2-[(6-bromopyrazin-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-fluoroindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-(hydroxymethyl)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylindazole-3-carboxamide is sourced from PubChem (CID 161355403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).