N-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide

C22H16FN7O — CID 137464366

IUPACN-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide
SMILESN#Cc1cnc2nc(C3(c4ccc(NC(=O)c5cncc(F)c5)nc4)CCC3)[nH]c2c1
InChIInChI=1S/C22H16FN7O/c23-16-7-14(10-25-12-16)20(31)29-18-3-2-15(11-26-18)22(4-1-5-22)21-28-17-6-13(8-24)9-27-19(17)30-21/h2-3,6-7,9-12H,1,4-5H2,(H,26,29,31)(H,27,28,30)
InChIKeyUWARKGMPUOHNDI-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.48
Rot. Bonds4

About N-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide

N-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide (PubChem CID 137464366) has the molecular formula C22H16FN7O and a molecular weight of 413.42 g/mol. Its IUPAC name is N-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide
PubChem CID137464366
Molecular FormulaC22H16FN7O
Molecular Weight413.42 g/mol
Exact Mass413.14
IUPAC NameN-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide
SMILESN#Cc1cnc2nc(C3(c4ccc(NC(=O)c5cncc(F)c5)nc4)CCC3)[nH]c2c1
InChIInChI=1S/C22H16FN7O/c23-16-7-14(10-25-12-16)20(31)29-18-3-2-15(11-26-18)22(4-1-5-22)21-28-17-6-13(8-24)9-27-19(17)30-21/h2-3,6-7,9-12H,1,4-5H2,(H,26,29,31)(H,27,28,30)
InChIKeyUWARKGMPUOHNDI-UHFFFAOYSA-N
XLogP3.48
TPSA120.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide (CID 137464366) is N-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide is N#Cc1cnc2nc(C3(c4ccc(NC(=O)c5cncc(F)c5)nc4)CCC3)[nH]c2c1.
What is the InChIKey of N-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is UWARKGMPUOHNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN7O/c23-16-7-14(10-25-12-16)20(31)29-18-3-2-15(11-26-18)22(4-1-5-22)21-28-17-6-13(8-24)9-27-19(17)30-21/h2-3,6-7,9-12H,1,4-5H2,(H,26,29,31)(H,27,28,30).
What are the key properties of N-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide?
N-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 413.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)cyclobutyl]-2-pyridinyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 137464366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).