[6-(methylamino)-3-pyridinyl]-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]methanol

C14H12F3N5O — CID 142524995

IUPAC[6-(methylamino)-3-pyridinyl]-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]methanol
SMILESCNc1ccc(C(O)c2nc3ncc(C(F)(F)F)cc3[nH]2)cn1
InChIInChI=1S/C14H12F3N5O/c1-18-10-3-2-7(5-19-10)11(23)13-21-9-4-8(14(15,16)17)6-20-12(9)22-13/h2-6,11,23H,1H3,(H,18,19)(H,20,21,22)
InChIKeyGAQNXCNZZVFTCA-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.50
Rot. Bonds3

About [6-(methylamino)-3-pyridinyl]-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]methanol

[6-(methylamino)-3-pyridinyl]-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]methanol (PubChem CID 142524995) has the molecular formula C14H12F3N5O and a molecular weight of 323.28 g/mol. Its IUPAC name is [6-(methylamino)-3-pyridinyl]-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[6-(methylamino)-3-pyridinyl]-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]methanol
PubChem CID142524995
Molecular FormulaC14H12F3N5O
Molecular Weight323.28 g/mol
Exact Mass323.10
IUPAC Name[6-(methylamino)-3-pyridinyl]-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]methanol
SMILESCNc1ccc(C(O)c2nc3ncc(C(F)(F)F)cc3[nH]2)cn1
InChIInChI=1S/C14H12F3N5O/c1-18-10-3-2-7(5-19-10)11(23)13-21-9-4-8(14(15,16)17)6-20-12(9)22-13/h2-6,11,23H,1H3,(H,18,19)(H,20,21,22)
InChIKeyGAQNXCNZZVFTCA-UHFFFAOYSA-N
XLogP2.50
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(methylamino)-3-pyridinyl]-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]methanol?
The IUPAC name of [6-(methylamino)-3-pyridinyl]-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]methanol (CID 142524995) is [6-(methylamino)-3-pyridinyl]-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]methanol.
What is the SMILES notation for [6-(methylamino)-3-pyridinyl]-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]methanol?
The canonical SMILES for [6-(methylamino)-3-pyridinyl]-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]methanol is CNc1ccc(C(O)c2nc3ncc(C(F)(F)F)cc3[nH]2)cn1.
What is the InChIKey of [6-(methylamino)-3-pyridinyl]-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]methanol?
The InChIKey is GAQNXCNZZVFTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O/c1-18-10-3-2-7(5-19-10)11(23)13-21-9-4-8(14(15,16)17)6-20-12(9)22-13/h2-6,11,23H,1H3,(H,18,19)(H,20,21,22).
What are the key properties of [6-(methylamino)-3-pyridinyl]-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]methanol?
[6-(methylamino)-3-pyridinyl]-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]methanol has a molecular weight of 323.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methylamino)-3-pyridinyl]-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]methanol is sourced from PubChem (CID 142524995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).