3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide

C27H35N7O — CID 129010723

IUPAC3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
SMILESCc1cc(C2NNC3CCC(C(=O)NC4CCCC(Cn5ncc6cnccc65)C4)CC32)ccn1
InChIInChI=1S/C27H35N7O/c1-17-11-19(7-10-29-17)26-23-13-20(5-6-24(23)32-33-26)27(35)31-22-4-2-3-18(12-22)16-34-25-8-9-28-14-21(25)15-30-34/h7-11,14-15,18,20,22-24,26,32-33H,2-6,12-13,16H2,1H3,(H,31,35)
InChIKeyIYHOWHPEIWBFFB-UHFFFAOYSA-N
MW473.63 g/mol
LogP3.44
Rot. Bonds5

About 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide

3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide (PubChem CID 129010723) has the molecular formula C27H35N7O and a molecular weight of 473.63 g/mol. Its IUPAC name is 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
PubChem CID129010723
Molecular FormulaC27H35N7O
Molecular Weight473.63 g/mol
Exact Mass473.29
IUPAC Name3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
SMILESCc1cc(C2NNC3CCC(C(=O)NC4CCCC(Cn5ncc6cnccc65)C4)CC32)ccn1
InChIInChI=1S/C27H35N7O/c1-17-11-19(7-10-29-17)26-23-13-20(5-6-24(23)32-33-26)27(35)31-22-4-2-3-18(12-22)16-34-25-8-9-28-14-21(25)15-30-34/h7-11,14-15,18,20,22-24,26,32-33H,2-6,12-13,16H2,1H3,(H,31,35)
InChIKeyIYHOWHPEIWBFFB-UHFFFAOYSA-N
XLogP3.44
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.63
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide with MolForge

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Related Compounds

N-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970741
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970718
N-[3-(hydroxymethyl)-3-phenoxycyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 76527357
N-[(1R,3S)-3-hydroxy-3-[(2-oxoquinolin-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 129010708
N-[3-[(2-methylbenzimidazol-1-yl)methyl]cyclohexyl]-3-(2-methyl-1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 129010726
N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970740
N-[(1S,3S)-3-[(3-cyanoindol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 129010710
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-[(3R,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970756
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970668
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970715
propan-2-yl 4-[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate
CID 91970903

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?
The IUPAC name of 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide (CID 129010723) is 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide is Cc1cc(C2NNC3CCC(C(=O)NC4CCCC(Cn5ncc6cnccc65)C4)CC32)ccn1.
What is the InChIKey of 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?
The InChIKey is IYHOWHPEIWBFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O/c1-17-11-19(7-10-29-17)26-23-13-20(5-6-24(23)32-33-26)27(35)31-22-4-2-3-18(12-22)16-34-25-8-9-28-14-21(25)15-30-34/h7-11,14-15,18,20,22-24,26,32-33H,2-6,12-13,16H2,1H3,(H,31,35).
What are the key properties of 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?
3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide has a molecular weight of 473.63 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-pyridinyl)-N-[3-(pyrazolo[4,5-c]pyridin-1-ylmethyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 129010723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).