(5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone

C19H22N4OS — CID 87054265

IUPAC(5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCCCn1c(C2CCN(C(=O)c3ccc(C)s3)C2)nc2cccnc21
InChIInChI=1S/C19H22N4OS/c1-3-10-23-17(21-15-5-4-9-20-18(15)23)14-8-11-22(12-14)19(24)16-7-6-13(2)25-16/h4-7,9,14H,3,8,10-12H2,1-2H3
InChIKeyUNHCGABKJUBBHG-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.84
Rot. Bonds4

About (5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone

(5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 87054265) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID87054265
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name(5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
SMILESCCCn1c(C2CCN(C(=O)c3ccc(C)s3)C2)nc2cccnc21
InChIInChI=1S/C19H22N4OS/c1-3-10-23-17(21-15-5-4-9-20-18(15)23)14-8-11-22(12-14)19(24)16-7-6-13(2)25-16/h4-7,9,14H,3,8,10-12H2,1-2H3
InChIKeyUNHCGABKJUBBHG-UHFFFAOYSA-N
XLogP3.84
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chlorothiophen-2-yl)-[(3S)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 95110165
(5-chlorothiophen-2-yl)-[(3R)-3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 95110164
[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 53191179
(3,4-difluorophenyl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 87054262
(1-ethylpyrazol-3-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 87054273
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95110115
[(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95110214
[(3R)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 95112513
[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 97416535
[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 97416546
1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 53191198
[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 97416540

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone (CID 87054265) is (5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone is CCCn1c(C2CCN(C(=O)c3ccc(C)s3)C2)nc2cccnc21.
What is the InChIKey of (5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is UNHCGABKJUBBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-3-10-23-17(21-15-5-4-9-20-18(15)23)14-8-11-22(12-14)19(24)16-7-6-13(2)25-16/h4-7,9,14H,3,8,10-12H2,1-2H3.
What are the key properties of (5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone?
(5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 354.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 87054265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).