6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C24H31FN6O — CID 155802863

IUPAC6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccnc1)C1NNC2CC(F)C(c3cncc(CN4CCCCC4)c3)CC21
InChIInChI=1S/C24H31FN6O/c25-21-11-22-20(23(30-29-22)24(32)28-18-5-4-6-26-14-18)10-19(21)17-9-16(12-27-13-17)15-31-7-2-1-3-8-31/h4-6,9,12-14,19-23,29-30H,1-3,7-8,10-11,15H2,(H,28,32)
InChIKeyXJMPPGXHTPEISN-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.78
Rot. Bonds5

About 6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 155802863) has the molecular formula C24H31FN6O and a molecular weight of 438.55 g/mol. Its IUPAC name is 6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID155802863
Molecular FormulaC24H31FN6O
Molecular Weight438.55 g/mol
Exact Mass438.25
IUPAC Name6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccnc1)C1NNC2CC(F)C(c3cncc(CN4CCCCC4)c3)CC21
InChIInChI=1S/C24H31FN6O/c25-21-11-22-20(23(30-29-22)24(32)28-18-5-4-6-26-14-18)10-19(21)17-9-16(12-27-13-17)15-31-7-2-1-3-8-31/h4-6,9,12-14,19-23,29-30H,1-3,7-8,10-11,15H2,(H,28,32)
InChIKeyXJMPPGXHTPEISN-UHFFFAOYSA-N
XLogP2.78
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

Gsk1614343
CID 25124566
N-[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 77890077
3-(2-chloro-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970658
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
3-(2-cyclopropyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970716
3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970717
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-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970720
N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970724
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 122362961
(3S)-1-[5-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]piperidin-3-amine
CID 123132998
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 155802818

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 155802863) is 6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is O=C(Nc1cccnc1)C1NNC2CC(F)C(c3cncc(CN4CCCCC4)c3)CC21.
What is the InChIKey of 6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is XJMPPGXHTPEISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O/c25-21-11-22-20(23(30-29-22)24(32)28-18-5-4-6-26-14-18)10-19(21)17-9-16(12-27-13-17)15-31-7-2-1-3-8-31/h4-6,9,12-14,19-23,29-30H,1-3,7-8,10-11,15H2,(H,28,32).
What are the key properties of 6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 155802863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).