[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone

C17H15F3N4OS — CID 53191143

IUPAC[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
SMILESCn1c(C2CCN(C(=O)c3ccc(C(F)(F)F)s3)C2)nc2cccnc21
InChIInChI=1S/C17H15F3N4OS/c1-23-14(22-11-3-2-7-21-15(11)23)10-6-8-24(9-10)16(25)12-4-5-13(26-12)17(18,19)20/h2-5,7,10H,6,8-9H2,1H3
InChIKeyJSXDNNIGAVGFKH-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.68
Rot. Bonds2

About [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone

[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone (PubChem CID 53191143) has the molecular formula C17H15F3N4OS and a molecular weight of 380.40 g/mol. Its IUPAC name is [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
PubChem CID53191143
Molecular FormulaC17H15F3N4OS
Molecular Weight380.40 g/mol
Exact Mass380.09
IUPAC Name[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
SMILESCn1c(C2CCN(C(=O)c3ccc(C(F)(F)F)s3)C2)nc2cccnc21
InChIInChI=1S/C17H15F3N4OS/c1-23-14(22-11-3-2-7-21-15(11)23)10-6-8-24(9-10)16(25)12-4-5-13(26-12)17(18,19)20/h2-5,7,10H,6,8-9H2,1H3
InChIKeyJSXDNNIGAVGFKH-UHFFFAOYSA-N
XLogP3.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
The IUPAC name of [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone (CID 53191143) is [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone.
What is the SMILES notation for [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
The canonical SMILES for [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone is Cn1c(C2CCN(C(=O)c3ccc(C(F)(F)F)s3)C2)nc2cccnc21.
What is the InChIKey of [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
The InChIKey is JSXDNNIGAVGFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4OS/c1-23-14(22-11-3-2-7-21-15(11)23)10-6-8-24(9-10)16(25)12-4-5-13(26-12)17(18,19)20/h2-5,7,10H,6,8-9H2,1H3.
What are the key properties of [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone has a molecular weight of 380.40 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 53191143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).