N-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C31H32F2N6O — CID 56941042

IUPACN-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(-c2n[nH]c3c2CN(C(=O)NC2CCC(c4ccccc4)N(Cc4c(F)cccc4F)C2)CC3)ccn1
InChIInChI=1S/C31H32F2N6O/c1-20-16-22(12-14-34-20)30-25-19-38(15-13-28(25)36-37-30)31(40)35-23-10-11-29(21-6-3-2-4-7-21)39(17-23)18-24-26(32)8-5-9-27(24)33/h2-9,12,14,16,23,29H,10-11,13,15,17-19H2,1H3,(H,35,40)(H,36,37)
InChIKeyXOXJNUZSBZOCHC-UHFFFAOYSA-N
MW542.63 g/mol
LogP5.53
Rot. Bonds5

About N-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 56941042) has the molecular formula C31H32F2N6O and a molecular weight of 542.63 g/mol. Its IUPAC name is N-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID56941042
Molecular FormulaC31H32F2N6O
Molecular Weight542.63 g/mol
Exact Mass542.26
IUPAC NameN-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(-c2n[nH]c3c2CN(C(=O)NC2CCC(c4ccccc4)N(Cc4c(F)cccc4F)C2)CC3)ccn1
InChIInChI=1S/C31H32F2N6O/c1-20-16-22(12-14-34-20)30-25-19-38(15-13-28(25)36-37-30)31(40)35-23-10-11-29(21-6-3-2-4-7-21)39(17-23)18-24-26(32)8-5-9-27(24)33/h2-9,12,14,16,23,29H,10-11,13,15,17-19H2,1H3,(H,35,40)(H,36,37)
InChIKeyXOXJNUZSBZOCHC-UHFFFAOYSA-N
XLogP5.53
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.63
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 56941042) is N-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cc(-c2n[nH]c3c2CN(C(=O)NC2CCC(c4ccccc4)N(Cc4c(F)cccc4F)C2)CC3)ccn1.
What is the InChIKey of N-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is XOXJNUZSBZOCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N6O/c1-20-16-22(12-14-34-20)30-25-19-38(15-13-28(25)36-37-30)31(40)35-23-10-11-29(21-6-3-2-4-7-21)39(17-23)18-24-26(32)8-5-9-27(24)33/h2-9,12,14,16,23,29H,10-11,13,15,17-19H2,1H3,(H,35,40)(H,36,37).
What are the key properties of N-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 542.63 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-difluorophenyl)methyl]-6-phenylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 56941042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).