N-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide

C30H31N7O3 — CID 54761951

IUPACN-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCCC5)n(-c5ccccn5)nc4c3)CCC2)cn1
InChIInChI=1S/C30H31N7O3/c31-27(38)23-13-11-21(18-33-23)34-29(40)30(14-6-15-30)35-28(39)20-10-12-22-24(17-20)36-37(25-9-4-5-16-32-25)26(22)19-7-2-1-3-8-19/h4-5,9-13,16-19H,1-3,6-8,14-15H2,(H2,31,38)(H,34,40)(H,35,39)
InChIKeyVJGDPMBKJZXCSP-UHFFFAOYSA-N
MW537.62 g/mol
LogP4.25
Rot. Bonds7

About N-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide

N-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide (PubChem CID 54761951) has the molecular formula C30H31N7O3 and a molecular weight of 537.62 g/mol. Its IUPAC name is N-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide.

Molecular Properties

Compound NameN-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide
PubChem CID54761951
Molecular FormulaC30H31N7O3
Molecular Weight537.62 g/mol
Exact Mass537.25
IUPAC NameN-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCCC5)n(-c5ccccn5)nc4c3)CCC2)cn1
InChIInChI=1S/C30H31N7O3/c31-27(38)23-13-11-21(18-33-23)34-29(40)30(14-6-15-30)35-28(39)20-10-12-22-24(17-20)36-37(25-9-4-5-16-32-25)26(22)19-7-2-1-3-8-19/h4-5,9-13,16-19H,1-3,6-8,14-15H2,(H2,31,38)(H,34,40)(H,35,39)
InChIKeyVJGDPMBKJZXCSP-UHFFFAOYSA-N
XLogP4.25
TPSA144.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.62
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide with MolForge

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Related Compounds

3-cyclohexyl-N-[1-methyl-4-[[4-[3-(methylamino)-3-oxoprop-1-enyl]phenyl]carbamoyl]piperidin-4-yl]-2-pyridin-2-ylindazole-6-carboxamide
CID 123701496
(2R)-1-[5-[[1-[(3-cyclohexyl-2-phenylindazole-6-carbonyl)amino]cyclobutanecarbonyl]amino]pyrimidin-2-yl]-2-methylpyrrolidin-1-ium-1-carboxylic acid
CID 123686277
(E)-3-[4-[[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutanecarbonyl]amino]-2-(2-methoxyethoxy)phenyl]prop-2-enoic acid
CID 118720677
(E)-3-[4-[[1-[[3-cyclopentyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylindole-6-carbonyl]amino]cyclobutanecarbonyl]amino]phenyl]prop-2-enoic acid
CID 10462019
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CID 11599766
3-[4-[[1-[(2-carbamoyl-3-cyclopentyl-1-methylindole-6-carbonyl)amino]cyclopentanecarbonyl]amino]phenyl]prop-2-enoic acid
CID 66969179
(E)-3-[4-[[(2R)-2-[(3-cyclohexyl-2-phenylindazole-6-carbonyl)amino]propanoyl]amino]phenyl]prop-2-enoic acid
CID 54759958
(E)-3-[4-[[1-[(3-cyclopentyl-1-methyl-2-quinolin-6-ylindole-6-carbonyl)amino]cyclobutanecarbonyl]amino]phenyl]prop-2-enoic acid
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(Z)-3-[4-[[1-[(3-cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]cyclobutanecarbonyl]amino]-2-ethoxyphenyl]-2-fluoroprop-2-enoic acid
CID 11671765
(E)-3-[4-[[1-[[1-cyclohexyl-2-(1-methylpyrrol-2-yl)benzimidazole-5-carbonyl]amino]cyclobutanecarbonyl]amino]phenyl]prop-2-enoic acid
CID 46881986
N-(6-carbamoyl-3-pyridinyl)-2-cyclobutyl-1,3-oxazole-4-carboxamide
CID 126784346
2-[4-[[1-[[(8S,9R)-18-cyclohexyl-8,9-dihydroxy-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaene-14-carbonyl]amino]cyclopentanecarbonyl]amino]phenyl]ethenyl acetate
CID 90955935

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide?
The IUPAC name of N-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide (CID 54761951) is N-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide.
What is the SMILES notation for N-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide?
The canonical SMILES for N-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide is NC(=O)c1ccc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCCC5)n(-c5ccccn5)nc4c3)CCC2)cn1.
What is the InChIKey of N-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide?
The InChIKey is VJGDPMBKJZXCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O3/c31-27(38)23-13-11-21(18-33-23)34-29(40)30(14-6-15-30)35-28(39)20-10-12-22-24(17-20)36-37(25-9-4-5-16-32-25)26(22)19-7-2-1-3-8-19/h4-5,9-13,16-19H,1-3,6-8,14-15H2,(H2,31,38)(H,34,40)(H,35,39).
What are the key properties of N-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide?
N-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide has a molecular weight of 537.62 g/mol, XLogP of 4.25, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-carbamoyl-3-pyridinyl)carbamoyl]cyclobutyl]-3-cyclohexyl-2-pyridin-2-ylindazole-6-carboxamide is sourced from PubChem (CID 54761951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).