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

C27H26FN7O — CID 121249903

IUPAC5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cn5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C27H26FN7O/c1-27(2,3)19-7-8-22(30-14-19)26(36)31-12-17-6-5-16(11-21(17)28)20-9-10-29-25-23(20)33-24(34-25)18-13-32-35(4)15-18/h5-11,13-15H,12H2,1-4H3,(H,31,36)(H,29,33,34)
InChIKeyJQCKJNBWROPCAZ-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.79
Rot. Bonds5

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

5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 121249903) has the molecular formula C27H26FN7O and a molecular weight of 483.55 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide
PubChem CID121249903
Molecular FormulaC27H26FN7O
Molecular Weight483.55 g/mol
Exact Mass483.22
IUPAC Name5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cn5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C27H26FN7O/c1-27(2,3)19-7-8-22(30-14-19)26(36)31-12-17-6-5-16(11-21(17)28)20-9-10-29-25-23(20)33-24(34-25)18-13-32-35(4)15-18/h5-11,13-15H,12H2,1-4H3,(H,31,36)(H,29,33,34)
InChIKeyJQCKJNBWROPCAZ-UHFFFAOYSA-N
XLogP4.79
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide (CID 121249903) is 5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide is Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cn5)c(F)c4)c3[nH]2)cn1.
What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is JQCKJNBWROPCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O/c1-27(2,3)19-7-8-22(30-14-19)26(36)31-12-17-6-5-16(11-21(17)28)20-9-10-29-25-23(20)33-24(34-25)18-13-32-35(4)15-18/h5-11,13-15H,12H2,1-4H3,(H,31,36)(H,29,33,34).
What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide?
5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 121249903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).