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

C19H17F3N4O — CID 53191135

IUPAC[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCn1c(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)nc2cccnc21
InChIInChI=1S/C19H17F3N4O/c1-25-16(24-15-6-3-8-23-17(15)25)13-7-9-26(11-13)18(27)12-4-2-5-14(10-12)19(20,21)22/h2-6,8,10,13H,7,9,11H2,1H3
InChIKeySJOSZESTCPBKKN-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.62
Rot. Bonds2

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

[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 53191135) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID53191135
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCn1c(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)nc2cccnc21
InChIInChI=1S/C19H17F3N4O/c1-25-16(24-15-6-3-8-23-17(15)25)13-7-9-26(11-13)18(27)12-4-2-5-14(10-12)19(20,21)22/h2-6,8,10,13H,7,9,11H2,1H3
InChIKeySJOSZESTCPBKKN-UHFFFAOYSA-N
XLogP3.62
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 53191135) is [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is Cn1c(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)nc2cccnc21.
What is the InChIKey of [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is SJOSZESTCPBKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-25-16(24-15-6-3-8-23-17(15)25)13-7-9-26(11-13)18(27)12-4-2-5-14(10-12)19(20,21)22/h2-6,8,10,13H,7,9,11H2,1H3.
What are the key properties of [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 374.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 53191135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).