(2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol

C19H18F5N5O — CID 169129922

IUPAC(2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESC[C@](O)(c1ccc2ncc(-c3nc(N[C@@H]4CNC[C@H]4F)ccc3F)n2c1)C(F)(F)F
InChIInChI=1S/C19H18F5N5O/c1-18(30,19(22,23)24)10-2-5-16-26-8-14(29(16)9-10)17-11(20)3-4-15(28-17)27-13-7-25-6-12(13)21/h2-5,8-9,12-13,25,30H,6-7H2,1H3,(H,27,28)/t12-,13-,18+/m1/s1
InChIKeyMLAFBWSPUYPFDZ-VFVRVIDISA-N
MW427.38 g/mol
LogP3.03
Rot. Bonds4

About (2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol

(2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 169129922) has the molecular formula C19H18F5N5O and a molecular weight of 427.38 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
PubChem CID169129922
Molecular FormulaC19H18F5N5O
Molecular Weight427.38 g/mol
Exact Mass427.14
IUPAC Name(2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESC[C@](O)(c1ccc2ncc(-c3nc(N[C@@H]4CNC[C@H]4F)ccc3F)n2c1)C(F)(F)F
InChIInChI=1S/C19H18F5N5O/c1-18(30,19(22,23)24)10-2-5-16-26-8-14(29(16)9-10)17-11(20)3-4-15(28-17)27-13-7-25-6-12(13)21/h2-5,8-9,12-13,25,30H,6-7H2,1H3,(H,27,28)/t12-,13-,18+/m1/s1
InChIKeyMLAFBWSPUYPFDZ-VFVRVIDISA-N
XLogP3.03
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol with MolForge

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Related Compounds

1,1,1-trifluoro-2-[3-[4-fluoro-6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961583
(2S)-2-[3-[3,5-difluoro-6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol
CID 169129503
(2R)-1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
CID 167137335
6-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-5-fluoro-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
CID 176918678
6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-5-fluoro-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 170630990
2-[3-(6-bromo-4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,1,1-trifluoropropan-2-ol
CID 166961903
2-[3-[3-fluoro-6-[[(3R)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
CID 170646386
tert-butyl (3S,4S)-3-fluoro-4-[[4-fluoro-6-[6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166961773
2-[3-[3,5-difluoro-6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-b]pyridazin-6-yl]-1,1,1-trifluoropropan-2-ol
CID 170631006
2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 170240974
N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 166961718
N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-(6-methylimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 170240945

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 169129922) is (2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is C[C@](O)(c1ccc2ncc(-c3nc(N[C@@H]4CNC[C@H]4F)ccc3F)n2c1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The InChIKey is MLAFBWSPUYPFDZ-VFVRVIDISA-N. The full InChI is InChI=1S/C19H18F5N5O/c1-18(30,19(22,23)24)10-2-5-16-26-8-14(29(16)9-10)17-11(20)3-4-15(28-17)27-13-7-25-6-12(13)21/h2-5,8-9,12-13,25,30H,6-7H2,1H3,(H,27,28)/t12-,13-,18+/m1/s1.
What are the key properties of (2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
(2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 427.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-2-[3-[3-fluoro-6-[[(3R,4R)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 169129922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).