4-tert-butyl-N-[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]benzamide

C28H28N6O — CID 121250010

IUPAC4-tert-butyl-N-[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1ccnc2nc(-c3cnn(C)c3)[nH]c12
InChIInChI=1S/C28H28N6O/c1-17-21(22-13-14-29-26-24(22)32-25(33-26)19-15-30-34(5)16-19)7-6-8-23(17)31-27(35)18-9-11-20(12-10-18)28(2,3)4/h6-16H,1-5H3,(H,31,35)(H,29,32,33)
InChIKeyLSFGIIFVORRZHC-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.88
Rot. Bonds4

About 4-tert-butyl-N-[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]benzamide

4-tert-butyl-N-[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]benzamide (PubChem CID 121250010) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]benzamide
PubChem CID121250010
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC Name4-tert-butyl-N-[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1ccnc2nc(-c3cnn(C)c3)[nH]c12
InChIInChI=1S/C28H28N6O/c1-17-21(22-13-14-29-26-24(22)32-25(33-26)19-15-30-34(5)16-19)7-6-8-23(17)31-27(35)18-9-11-20(12-10-18)28(2,3)4/h6-16H,1-5H3,(H,31,35)(H,29,32,33)
InChIKeyLSFGIIFVORRZHC-UHFFFAOYSA-N
XLogP5.88
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.88
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-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]benzamide (CID 121250010) is 4-tert-butyl-N-[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]benzamide is Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1ccnc2nc(-c3cnn(C)c3)[nH]c12.
What is the InChIKey of 4-tert-butyl-N-[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]benzamide?
The InChIKey is LSFGIIFVORRZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c1-17-21(22-13-14-29-26-24(22)32-25(33-26)19-15-30-34(5)16-19)7-6-8-23(17)31-27(35)18-9-11-20(12-10-18)28(2,3)4/h6-16H,1-5H3,(H,31,35)(H,29,32,33).
What are the key properties of 4-tert-butyl-N-[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]benzamide?
4-tert-butyl-N-[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]benzamide has a molecular weight of 464.57 g/mol, XLogP of 5.88, 4 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-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]benzamide is sourced from PubChem (CID 121250010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).