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

C26H30F2N6O — CID 56942818

IUPACN-[1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(-c2n[nH]c3c2CN(C(=O)NC2(C)CCCN(Cc4c(F)cccc4F)C2)CC3)ccn1
InChIInChI=1S/C26H30F2N6O/c1-17-13-18(7-10-29-17)24-20-15-34(12-8-23(20)31-32-24)25(35)30-26(2)9-4-11-33(16-26)14-19-21(27)5-3-6-22(19)28/h3,5-7,10,13H,4,8-9,11-12,14-16H2,1-2H3,(H,30,35)(H,31,32)
InChIKeyWQOCJCMRWWMIPC-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.18
Rot. Bonds4

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

N-[1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 56942818) has the molecular formula C26H30F2N6O and a molecular weight of 480.56 g/mol. Its IUPAC name is N-[1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-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]-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID56942818
Molecular FormulaC26H30F2N6O
Molecular Weight480.56 g/mol
Exact Mass480.24
IUPAC NameN-[1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(-c2n[nH]c3c2CN(C(=O)NC2(C)CCCN(Cc4c(F)cccc4F)C2)CC3)ccn1
InChIInChI=1S/C26H30F2N6O/c1-17-13-18(7-10-29-17)24-20-15-34(12-8-23(20)31-32-24)25(35)30-26(2)9-4-11-33(16-26)14-19-21(27)5-3-6-22(19)28/h3,5-7,10,13H,4,8-9,11-12,14-16H2,1-2H3,(H,30,35)(H,31,32)
InChIKeyWQOCJCMRWWMIPC-UHFFFAOYSA-N
XLogP4.18
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.18
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]-3-methylpiperidin-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]-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 56942818) is N-[1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-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]-3-methylpiperidin-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]-3-methylpiperidin-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)NC2(C)CCCN(Cc4c(F)cccc4F)C2)CC3)ccn1.
What is the InChIKey of N-[1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is WQOCJCMRWWMIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O/c1-17-13-18(7-10-29-17)24-20-15-34(12-8-23(20)31-32-24)25(35)30-26(2)9-4-11-33(16-26)14-19-21(27)5-3-6-22(19)28/h3,5-7,10,13H,4,8-9,11-12,14-16H2,1-2H3,(H,30,35)(H,31,32).
What are the key properties of N-[1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-[1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 480.56 g/mol, XLogP of 4.18, 4 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]-3-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 56942818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).