(1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

C23H24N6O2 — CID 95108302

IUPAC(1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CC[C@@H](n3c(-c4ccc(OC)cc4)nc4cccnc43)C2)n1
InChIInChI=1S/C23H24N6O2/c1-3-28-14-11-20(26-28)23(30)27-13-10-17(15-27)29-21(16-6-8-18(31-2)9-7-16)25-19-5-4-12-24-22(19)29/h4-9,11-12,14,17H,3,10,13,15H2,1-2H3/t17-/m1/s1
InChIKeyNVLNKTPBIHCZTE-QGZVFWFLSA-N
MW416.49 g/mol
LogP3.41
Rot. Bonds5

About (1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 95108302) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID95108302
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name(1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CC[C@@H](n3c(-c4ccc(OC)cc4)nc4cccnc43)C2)n1
InChIInChI=1S/C23H24N6O2/c1-3-28-14-11-20(26-28)23(30)27-13-10-17(15-27)29-21(16-6-8-18(31-2)9-7-16)25-19-5-4-12-24-22(19)29/h4-9,11-12,14,17H,3,10,13,15H2,1-2H3/t17-/m1/s1
InChIKeyNVLNKTPBIHCZTE-QGZVFWFLSA-N
XLogP3.41
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-ethylpyrazol-3-yl)-[(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 95108385
(2-ethylpyrazol-3-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 53186831
N-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050875
(3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 87050817
(1-ethylpyrazol-3-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 87054273
N-(3-methoxypropyl)-3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 53186934
2-ethoxy-1-[(3R)-3-[2-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]ethanone
CID 95108322
(3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108149
(5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 110257772
thiophen-3-yl-[(3S)-3-(2-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108348
1-[3-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 53186838
ethyl 4-(2-methoxyimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 21050440

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 95108302) is (1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is CCn1ccc(C(=O)N2CC[C@@H](n3c(-c4ccc(OC)cc4)nc4cccnc43)C2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is NVLNKTPBIHCZTE-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-3-28-14-11-20(26-28)23(30)27-13-10-17(15-27)29-21(16-6-8-18(31-2)9-7-16)25-19-5-4-12-24-22(19)29/h4-9,11-12,14,17H,3,10,13,15H2,1-2H3/t17-/m1/s1.
What are the key properties of (1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 416.49 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[(3R)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95108302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).