(3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone

C26H21N5O3 — CID 138857730

IUPAC(3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone
SMILESCOc1ccc(C(=O)n2c(-c3ccc(C(=O)n4nc(C)cc4C)cc3)nc3cccnc32)cc1
InChIInChI=1S/C26H21N5O3/c1-16-15-17(2)31(29-16)26(33)20-8-6-18(7-9-20)23-28-22-5-4-14-27-24(22)30(23)25(32)19-10-12-21(34-3)13-11-19/h4-15H,1-3H3
InChIKeyJMMGZBDFHDQIRW-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.30
Rot. Bonds4

About (3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone

(3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone (PubChem CID 138857730) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone
PubChem CID138857730
Molecular FormulaC26H21N5O3
Molecular Weight451.49 g/mol
Exact Mass451.16
IUPAC Name(3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone
SMILESCOc1ccc(C(=O)n2c(-c3ccc(C(=O)n4nc(C)cc4C)cc3)nc3cccnc32)cc1
InChIInChI=1S/C26H21N5O3/c1-16-15-17(2)31(29-16)26(33)20-8-6-18(7-9-20)23-28-22-5-4-14-27-24(22)30(23)25(32)19-10-12-21(34-3)13-11-19/h4-15H,1-3H3
InChIKeyJMMGZBDFHDQIRW-UHFFFAOYSA-N
XLogP4.30
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone (CID 138857730) is (3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone is COc1ccc(C(=O)n2c(-c3ccc(C(=O)n4nc(C)cc4C)cc3)nc3cccnc32)cc1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone?
The InChIKey is JMMGZBDFHDQIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c1-16-15-17(2)31(29-16)26(33)20-8-6-18(7-9-20)23-28-22-5-4-14-27-24(22)30(23)25(32)19-10-12-21(34-3)13-11-19/h4-15H,1-3H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone?
(3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone has a molecular weight of 451.49 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-[4-[3-(4-methoxybenzoyl)imidazo[4,5-b]pyridin-2-yl]phenyl]methanone is sourced from PubChem (CID 138857730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).