(5-chloro-2-methoxyphenyl)-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone

C21H23ClN4O2 — CID 83272966

IUPAC(5-chloro-2-methoxyphenyl)-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(c2nc3ccncc3n2C(C)C)C1
InChIInChI=1S/C21H23ClN4O2/c1-13(2)26-18-11-23-8-6-17(18)24-20(26)14-7-9-25(12-14)21(27)16-10-15(22)4-5-19(16)28-3/h4-6,8,10-11,13-14H,7,9,12H2,1-3H3
InChIKeyKJNMOZJWKNRWOQ-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.30
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone

(5-chloro-2-methoxyphenyl)-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 83272966) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID83272966
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name(5-chloro-2-methoxyphenyl)-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(c2nc3ccncc3n2C(C)C)C1
InChIInChI=1S/C21H23ClN4O2/c1-13(2)26-18-11-23-8-6-17(18)24-20(26)14-7-9-25(12-14)21(27)16-10-15(22)4-5-19(16)28-3/h4-6,8,10-11,13-14H,7,9,12H2,1-3H3
InChIKeyKJNMOZJWKNRWOQ-UHFFFAOYSA-N
XLogP4.30
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone (CID 83272966) is (5-chloro-2-methoxyphenyl)-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone is COc1ccc(Cl)cc1C(=O)N1CCC(c2nc3ccncc3n2C(C)C)C1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KJNMOZJWKNRWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-13(2)26-18-11-23-8-6-17(18)24-20(26)14-7-9-25(12-14)21(27)16-10-15(22)4-5-19(16)28-3/h4-6,8,10-11,13-14H,7,9,12H2,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?
(5-chloro-2-methoxyphenyl)-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 398.89 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 83272966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).