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

C22H19ClN4O2S — CID 87050823

IUPAC(5-chlorothiophen-2-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)c3ccc(Cl)s3)C2)cc1
InChIInChI=1S/C22H19ClN4O2S/c1-29-16-6-4-14(5-7-16)20-25-17-3-2-11-24-21(17)27(20)15-10-12-26(13-15)22(28)18-8-9-19(23)30-18/h2-9,11,15H,10,12-13H2,1H3
InChIKeyNQDHFYKCPZPNSV-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.91
Rot. Bonds4

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

(5-chlorothiophen-2-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 87050823) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID87050823
Molecular FormulaC22H19ClN4O2S
Molecular Weight438.94 g/mol
Exact Mass438.09
IUPAC Name(5-chlorothiophen-2-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)c3ccc(Cl)s3)C2)cc1
InChIInChI=1S/C22H19ClN4O2S/c1-29-16-6-4-14(5-7-16)20-25-17-3-2-11-24-21(17)27(20)15-10-12-26(13-15)22(28)18-8-9-19(23)30-18/h2-9,11,15H,10,12-13H2,1H3
InChIKeyNQDHFYKCPZPNSV-UHFFFAOYSA-N
XLogP4.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 87050823) is (5-chlorothiophen-2-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is COc1ccc(-c2nc3cccnc3n2C2CCN(C(=O)c3ccc(Cl)s3)C2)cc1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is NQDHFYKCPZPNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2S/c1-29-16-6-4-14(5-7-16)20-25-17-3-2-11-24-21(17)27(20)15-10-12-26(13-15)22(28)18-8-9-19(23)30-18/h2-9,11,15H,10,12-13H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 438.94 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87050823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).