N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methoxypyridine-2-carboxamide

C24H20FN7O2 — CID 121249780

IUPACN-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(C)c5)[nH]c34)cc2F)nc1
InChIInChI=1S/C24H20FN7O2/c1-32-13-16(11-29-32)22-30-21-18(7-8-26-23(21)31-22)14-3-4-15(19(25)9-14)10-28-24(33)20-6-5-17(34-2)12-27-20/h3-9,11-13H,10H2,1-2H3,(H,28,33)(H,26,30,31)
InChIKeyYZHMIJXZRFMSIL-UHFFFAOYSA-N
MW457.47 g/mol
LogP3.50
Rot. Bonds6

About N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methoxypyridine-2-carboxamide

N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methoxypyridine-2-carboxamide (PubChem CID 121249780) has the molecular formula C24H20FN7O2 and a molecular weight of 457.47 g/mol. Its IUPAC name is N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methoxypyridine-2-carboxamide
PubChem CID121249780
Molecular FormulaC24H20FN7O2
Molecular Weight457.47 g/mol
Exact Mass457.17
IUPAC NameN-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(C)c5)[nH]c34)cc2F)nc1
InChIInChI=1S/C24H20FN7O2/c1-32-13-16(11-29-32)22-30-21-18(7-8-26-23(21)31-22)14-3-4-15(19(25)9-14)10-28-24(33)20-6-5-17(34-2)12-27-20/h3-9,11-13H,10H2,1-2H3,(H,28,33)(H,26,30,31)
InChIKeyYZHMIJXZRFMSIL-UHFFFAOYSA-N
XLogP3.50
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methoxypyridine-2-carboxamide?
The IUPAC name of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methoxypyridine-2-carboxamide (CID 121249780) is N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methoxypyridine-2-carboxamide is COc1ccc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(C)c5)[nH]c34)cc2F)nc1.
What is the InChIKey of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methoxypyridine-2-carboxamide?
The InChIKey is YZHMIJXZRFMSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O2/c1-32-13-16(11-29-32)22-30-21-18(7-8-26-23(21)31-22)14-3-4-15(19(25)9-14)10-28-24(33)20-6-5-17(34-2)12-27-20/h3-9,11-13H,10H2,1-2H3,(H,28,33)(H,26,30,31).
What are the key properties of N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methoxypyridine-2-carboxamide?
N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methoxypyridine-2-carboxamide has a molecular weight of 457.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 121249780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).