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

C29H30N6O — CID 121249883

IUPAC4-tert-butyl-N-[[2-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide
SMILESCc1cc(-c2ccnc3nc(-c4cnn(C)c4)[nH]c23)ccc1CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C29H30N6O/c1-18-14-20(24-12-13-30-27-25(24)33-26(34-27)22-16-32-35(5)17-22)6-7-21(18)15-31-28(36)19-8-10-23(11-9-19)29(2,3)4/h6-14,16-17H,15H2,1-5H3,(H,31,36)(H,30,33,34)
InChIKeyGMMDLUVGCVNIFG-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.56
Rot. Bonds5

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

4-tert-butyl-N-[[2-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide (PubChem CID 121249883) has the molecular formula C29H30N6O and a molecular weight of 478.60 g/mol. Its IUPAC name is 4-tert-butyl-N-[[2-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[2-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide
PubChem CID121249883
Molecular FormulaC29H30N6O
Molecular Weight478.60 g/mol
Exact Mass478.25
IUPAC Name4-tert-butyl-N-[[2-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide
SMILESCc1cc(-c2ccnc3nc(-c4cnn(C)c4)[nH]c23)ccc1CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C29H30N6O/c1-18-14-20(24-12-13-30-27-25(24)33-26(34-27)22-16-32-35(5)17-22)6-7-21(18)15-31-28(36)19-8-10-23(11-9-19)29(2,3)4/h6-14,16-17H,15H2,1-5H3,(H,31,36)(H,30,33,34)
InChIKeyGMMDLUVGCVNIFG-UHFFFAOYSA-N
XLogP5.56
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[2-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[[2-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide (CID 121249883) is 4-tert-butyl-N-[[2-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[[2-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[[2-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide is Cc1cc(-c2ccnc3nc(-c4cnn(C)c4)[nH]c23)ccc1CNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[[2-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide?
The InChIKey is GMMDLUVGCVNIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O/c1-18-14-20(24-12-13-30-27-25(24)33-26(34-27)22-16-32-35(5)17-22)6-7-21(18)15-31-28(36)19-8-10-23(11-9-19)29(2,3)4/h6-14,16-17H,15H2,1-5H3,(H,31,36)(H,30,33,34).
What are the key properties of 4-tert-butyl-N-[[2-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide?
4-tert-butyl-N-[[2-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide has a molecular weight of 478.60 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[2-methyl-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 121249883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).