1H-imidazo[4,5-b]pyridin-6-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone

C12H11F3N4O — CID 164633258

IUPAC1H-imidazo[4,5-b]pyridin-6-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnc2nc[nH]c2c1)N1CC[C@H](C(F)(F)F)C1
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)8-1-2-19(5-8)11(20)7-3-9-10(16-4-7)18-6-17-9/h3-4,6,8H,1-2,5H2,(H,16,17,18)/t8-/m0/s1
InChIKeyYQUMYSVQGIWSIV-QMMMGPOBSA-N
MW284.24 g/mol
LogP1.98
Rot. Bonds1

About 1H-imidazo[4,5-b]pyridin-6-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone

1H-imidazo[4,5-b]pyridin-6-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 164633258) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 1H-imidazo[4,5-b]pyridin-6-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-imidazo[4,5-b]pyridin-6-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID164633258
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name1H-imidazo[4,5-b]pyridin-6-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnc2nc[nH]c2c1)N1CC[C@H](C(F)(F)F)C1
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)8-1-2-19(5-8)11(20)7-3-9-10(16-4-7)18-6-17-9/h3-4,6,8H,1-2,5H2,(H,16,17,18)/t8-/m0/s1
InChIKeyYQUMYSVQGIWSIV-QMMMGPOBSA-N
XLogP1.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazo[4,5-b]pyridin-6-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-imidazo[4,5-b]pyridin-6-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 164633258) is 1H-imidazo[4,5-b]pyridin-6-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-imidazo[4,5-b]pyridin-6-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-imidazo[4,5-b]pyridin-6-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is O=C(c1cnc2nc[nH]c2c1)N1CC[C@H](C(F)(F)F)C1.
What is the InChIKey of 1H-imidazo[4,5-b]pyridin-6-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is YQUMYSVQGIWSIV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11F3N4O/c13-12(14,15)8-1-2-19(5-8)11(20)7-3-9-10(16-4-7)18-6-17-9/h3-4,6,8H,1-2,5H2,(H,16,17,18)/t8-/m0/s1.
What are the key properties of 1H-imidazo[4,5-b]pyridin-6-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
1H-imidazo[4,5-b]pyridin-6-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 284.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazo[4,5-b]pyridin-6-yl-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164633258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).