(5-chlorothiophen-2-yl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone

C19H21ClN4OS — CID 83272919

IUPAC(5-chlorothiophen-2-yl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCC(C)n1c(CC2CCN(C(=O)c3ccc(Cl)s3)C2)nc2cccnc21
InChIInChI=1S/C19H21ClN4OS/c1-12(2)24-17(22-14-4-3-8-21-18(14)24)10-13-7-9-23(11-13)19(25)15-5-6-16(20)26-15/h3-6,8,12-13H,7,9-11H2,1-2H3
InChIKeyTXFSYTRGKRUSCO-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.43
Rot. Bonds4

About (5-chlorothiophen-2-yl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 83272919) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID83272919
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC Name(5-chlorothiophen-2-yl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCC(C)n1c(CC2CCN(C(=O)c3ccc(Cl)s3)C2)nc2cccnc21
InChIInChI=1S/C19H21ClN4OS/c1-12(2)24-17(22-14-4-3-8-21-18(14)24)10-13-7-9-23(11-13)19(25)15-5-6-16(20)26-15/h3-6,8,12-13H,7,9-11H2,1-2H3
InChIKeyTXFSYTRGKRUSCO-UHFFFAOYSA-N
XLogP4.43
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone (CID 83272919) is (5-chlorothiophen-2-yl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone is CC(C)n1c(CC2CCN(C(=O)c3ccc(Cl)s3)C2)nc2cccnc21.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is TXFSYTRGKRUSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c1-12(2)24-17(22-14-4-3-8-21-18(14)24)10-13-7-9-23(11-13)19(25)15-5-6-16(20)26-15/h3-6,8,12-13H,7,9-11H2,1-2H3.
What are the key properties of (5-chlorothiophen-2-yl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 388.92 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 83272919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).