N-[(1S,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide

C29H29N5O3 — CID 122420681

IUPACN-[(1S,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide
SMILESCc1cc(-n2ncc3cc(C(=O)N[C@H]4CCC[C@@](O)(CN5C(=O)Cc6ccccc65)C4)ccc32)ccn1
InChIInChI=1S/C29H29N5O3/c1-19-13-24(10-12-30-19)34-26-9-8-21(14-22(26)17-31-34)28(36)32-23-6-4-11-29(37,16-23)18-33-25-7-3-2-5-20(25)15-27(33)35/h2-3,5,7-10,12-14,17,23,37H,4,6,11,15-16,18H2,1H3,(H,32,36)/t23-,29-/m0/s1
InChIKeyOXPJSOIHPITOAB-IADCTJSHSA-N
MW495.58 g/mol
LogP3.72
Rot. Bonds5

About N-[(1S,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide

N-[(1S,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide (PubChem CID 122420681) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[(1S,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide
PubChem CID122420681
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC NameN-[(1S,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide
SMILESCc1cc(-n2ncc3cc(C(=O)N[C@H]4CCC[C@@](O)(CN5C(=O)Cc6ccccc65)C4)ccc32)ccn1
InChIInChI=1S/C29H29N5O3/c1-19-13-24(10-12-30-19)34-26-9-8-21(14-22(26)17-31-34)28(36)32-23-6-4-11-29(37,16-23)18-33-25-7-3-2-5-20(25)15-27(33)35/h2-3,5,7-10,12-14,17,23,37H,4,6,11,15-16,18H2,1H3,(H,32,36)/t23-,29-/m0/s1
InChIKeyOXPJSOIHPITOAB-IADCTJSHSA-N
XLogP3.72
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide
CID 122420683
N-[(1R,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 129010707
N-[(1R,3R)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 129010703
N-[3-[(7-fluoroindazol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 67985835
N-[3-hydroxy-3-(indazol-2-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 86282552
3,4-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730027
6-methyl-N-[(5S,7R)-2-(2-methyl-4-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52912120
N-[(1R,3R)-3-hydroxy-3-(imidazo[4,5-b]pyridin-3-ylmethyl)cyclohexyl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 57411032
1-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416741
N-methyl-4-[4-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-oxobutyl]benzamide
CID 160656274
3-(2-cyclopropyl-4-pyridinyl)-N-[3-hydroxy-3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-1H-indazole-5-carboxamide
CID 123190930
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
CID 121416712

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide?
The IUPAC name of N-[(1S,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide (CID 122420681) is N-[(1S,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide is Cc1cc(-n2ncc3cc(C(=O)N[C@H]4CCC[C@@](O)(CN5C(=O)Cc6ccccc65)C4)ccc32)ccn1.
What is the InChIKey of N-[(1S,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide?
The InChIKey is OXPJSOIHPITOAB-IADCTJSHSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-19-13-24(10-12-30-19)34-26-9-8-21(14-22(26)17-31-34)28(36)32-23-6-4-11-29(37,16-23)18-33-25-7-3-2-5-20(25)15-27(33)35/h2-3,5,7-10,12-14,17,23,37H,4,6,11,15-16,18H2,1H3,(H,32,36)/t23-,29-/m0/s1.
What are the key properties of N-[(1S,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide?
N-[(1S,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-1-(2-methyl-4-pyridinyl)indazole-5-carboxamide is sourced from PubChem (CID 122420681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).