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

C26H34FN5O — CID 91970720

IUPACN-[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
SMILESCC1CC(NC(=O)C2CCC3NNC(c4ccncc4)C3C2)CN(Cc2ccccc2F)C1
InChIInChI=1S/C26H34FN5O/c1-17-12-21(16-32(14-17)15-20-4-2-3-5-23(20)27)29-26(33)19-6-7-24-22(13-19)25(31-30-24)18-8-10-28-11-9-18/h2-5,8-11,17,19,21-22,24-25,30-31H,6-7,12-16H2,1H3,(H,29,33)
InChIKeyWMLHZWJZJTUTGA-UHFFFAOYSA-N
MW451.59 g/mol
LogP3.18
Rot. Bonds5

About 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

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 (PubChem CID 91970720) has the molecular formula C26H34FN5O and a molecular weight of 451.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID91970720
Molecular FormulaC26H34FN5O
Molecular Weight451.59 g/mol
Exact Mass451.27
IUPAC NameN-[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
SMILESCC1CC(NC(=O)C2CCC3NNC(c4ccncc4)C3C2)CN(Cc2ccccc2F)C1
InChIInChI=1S/C26H34FN5O/c1-17-12-21(16-32(14-17)15-20-4-2-3-5-23(20)27)29-26(33)19-6-7-24-22(13-19)25(31-30-24)18-8-10-28-11-9-18/h2-5,8-11,17,19,21-22,24-25,30-31H,6-7,12-16H2,1H3,(H,29,33)
InChIKeyWMLHZWJZJTUTGA-UHFFFAOYSA-N
XLogP3.18
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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-[(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
N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 122362962
US10065967, Example 10
CID 136213983
US10065967, Example 41
CID 136214087

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC(NC(=O)C2CCC3NNC(c4ccncc4)C3C2)CN(Cc2ccccc2F)C1.
What is the InChIKey of 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?
The InChIKey is WMLHZWJZJTUTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN5O/c1-17-12-21(16-32(14-17)15-20-4-2-3-5-23(20)27)29-26(33)19-6-7-24-22(13-19)25(31-30-24)18-8-10-28-11-9-18/h2-5,8-11,17,19,21-22,24-25,30-31H,6-7,12-16H2,1H3,(H,29,33).
What are the key properties of 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?
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 has a molecular weight of 451.59 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91970720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).