N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide

C24H22ClFN6O — CID 90412961

IUPACN-[5-chloro-4-[1-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cnc3ncn(Cc4cccc(F)c4)c3c2)c(Cl)cn1)C1CCCNC1
InChIInChI=1S/C24H22ClFN6O/c25-20-12-28-22(31-24(33)16-4-2-6-27-10-16)9-19(20)17-8-21-23(29-11-17)30-14-32(21)13-15-3-1-5-18(26)7-15/h1,3,5,7-9,11-12,14,16,27H,2,4,6,10,13H2,(H,28,31,33)
InChIKeyPHNVSYBQSHDHGI-UHFFFAOYSA-N
MW464.93 g/mol
LogP4.27
Rot. Bonds5

About N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide

N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 90412961) has the molecular formula C24H22ClFN6O and a molecular weight of 464.93 g/mol. Its IUPAC name is N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-[1-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID90412961
Molecular FormulaC24H22ClFN6O
Molecular Weight464.93 g/mol
Exact Mass464.15
IUPAC NameN-[5-chloro-4-[1-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cnc3ncn(Cc4cccc(F)c4)c3c2)c(Cl)cn1)C1CCCNC1
InChIInChI=1S/C24H22ClFN6O/c25-20-12-28-22(31-24(33)16-4-2-6-27-10-16)9-19(20)17-8-21-23(29-11-17)30-14-32(21)13-15-3-1-5-18(26)7-15/h1,3,5,7-9,11-12,14,16,27H,2,4,6,10,13H2,(H,28,31,33)
InChIKeyPHNVSYBQSHDHGI-UHFFFAOYSA-N
XLogP4.27
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 90412961) is N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2cnc3ncn(Cc4cccc(F)c4)c3c2)c(Cl)cn1)C1CCCNC1.
What is the InChIKey of N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is PHNVSYBQSHDHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN6O/c25-20-12-28-22(31-24(33)16-4-2-6-27-10-16)9-19(20)17-8-21-23(29-11-17)30-14-32(21)13-15-3-1-5-18(26)7-15/h1,3,5,7-9,11-12,14,16,27H,2,4,6,10,13H2,(H,28,31,33).
What are the key properties of N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide?
N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 464.93 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[1-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 90412961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).