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

C24H30F2N6O — CID 122362962

IUPACN-[(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
SMILESO=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)N1CCC2NNC(c3ccncc3)C2C1
InChIInChI=1S/C24H30F2N6O/c25-20-4-1-5-21(26)18(20)14-31-11-2-3-17(13-31)28-24(33)32-12-8-22-19(15-32)23(30-29-22)16-6-9-27-10-7-16/h1,4-7,9-10,17,19,22-23,29-30H,2-3,8,11-15H2,(H,28,33)/t17-,19?,22?,23?/m1/s1
InChIKeyHDCCKRVLARXBAZ-UINAOQCUSA-N
MW456.54 g/mol
LogP2.57
Rot. Bonds4

About 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

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 (PubChem CID 122362962) has the molecular formula C24H30F2N6O and a molecular weight of 456.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID122362962
Molecular FormulaC24H30F2N6O
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC NameN-[(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
SMILESO=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)N1CCC2NNC(c3ccncc3)C2C1
InChIInChI=1S/C24H30F2N6O/c25-20-4-1-5-21(26)18(20)14-31-11-2-3-17(13-31)28-24(33)32-12-8-22-19(15-32)23(30-29-22)16-6-9-27-10-7-16/h1,4-7,9-10,17,19,22-23,29-30H,2-3,8,11-15H2,(H,28,33)/t17-,19?,22?,23?/m1/s1
InChIKeyHDCCKRVLARXBAZ-UINAOQCUSA-N
XLogP2.57
TPSA72.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

5-(1-((5-(4-Fluorophenyl)pyridin-3-yl)methyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one (5d)
CID 131635608
5-(4-((5-(4-fluorophenyl)pyridin-3-yl)methyl)piperazin-1-yl)-1H-benzo[d]imidazol-2(3H)-one (6d)
CID 131635614
N-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 2893801
1-(1-((1-(pyridin-4-ylmethyl)piperidin-4-yl)methyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 49864796
1-(1-(4-(pyridin-4-ylmethyl)piperazine-1-carbonyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 49864864
N-(tert-butyl)-1-(2-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
CID 5064844
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
5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 78054551
1-[5-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]azepan-4-amine
CID 78054610
3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 78054636
5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 78054707
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)N1CCC2NNC(c3ccncc3)C2C1.
What is the InChIKey of 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?
The InChIKey is HDCCKRVLARXBAZ-UINAOQCUSA-N. The full InChI is InChI=1S/C24H30F2N6O/c25-20-4-1-5-21(26)18(20)14-31-11-2-3-17(13-31)28-24(33)32-12-8-22-19(15-32)23(30-29-22)16-6-9-27-10-7-16/h1,4-7,9-10,17,19,22-23,29-30H,2-3,8,11-15H2,(H,28,33)/t17-,19?,22?,23?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 456.54 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122362962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).