N-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C27H30F2N6O — CID 56941340

IUPACN-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(-c2n[nH]c3c2CN(C(=O)NC2CC4CCC(C2)N4Cc2c(F)cccc2F)CC3)ccn1
InChIInChI=1S/C27H30F2N6O/c1-16-11-17(7-9-30-16)26-22-14-34(10-8-25(22)32-33-26)27(36)31-18-12-19-5-6-20(13-18)35(19)15-21-23(28)3-2-4-24(21)29/h2-4,7,9,11,18-20H,5-6,8,10,12-15H2,1H3,(H,31,36)(H,32,33)
InChIKeyDEAWDDZNPICHJG-UHFFFAOYSA-N
MW492.57 g/mol
LogP4.32
Rot. Bonds4

About N-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 56941340) has the molecular formula C27H30F2N6O and a molecular weight of 492.57 g/mol. Its IUPAC name is N-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID56941340
Molecular FormulaC27H30F2N6O
Molecular Weight492.57 g/mol
Exact Mass492.24
IUPAC NameN-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(-c2n[nH]c3c2CN(C(=O)NC2CC4CCC(C2)N4Cc2c(F)cccc2F)CC3)ccn1
InChIInChI=1S/C27H30F2N6O/c1-16-11-17(7-9-30-16)26-22-14-34(10-8-25(22)32-33-26)27(36)31-18-12-19-5-6-20(13-18)35(19)15-21-23(28)3-2-4-24(21)29/h2-4,7,9,11,18-20H,5-6,8,10,12-15H2,1H3,(H,31,36)(H,32,33)
InChIKeyDEAWDDZNPICHJG-UHFFFAOYSA-N
XLogP4.32
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 56941340) is N-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-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-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-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)NC2CC4CCC(C2)N4Cc2c(F)cccc2F)CC3)ccn1.
What is the InChIKey of N-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is DEAWDDZNPICHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N6O/c1-16-11-17(7-9-30-16)26-22-14-34(10-8-25(22)32-33-26)27(36)31-18-12-19-5-6-20(13-18)35(19)15-21-23(28)3-2-4-24(21)29/h2-4,7,9,11,18-20H,5-6,8,10,12-15H2,1H3,(H,31,36)(H,32,33).
What are the key properties of N-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 492.57 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(2,6-difluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 56941340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).