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

C20H20F5N5O — CID 166961583

IUPAC1,1,1-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
SMILESCC(O)(c1ccc2ncc(-c3cc(F)cc(N[C@H]4CNCC[C@@H]4F)n3)n2c1)C(F)(F)F
InChIInChI=1S/C20H20F5N5O/c1-19(31,20(23,24)25)11-2-3-18-27-9-16(30(18)10-11)14-6-12(21)7-17(28-14)29-15-8-26-5-4-13(15)22/h2-3,6-7,9-10,13,15,26,31H,4-5,8H2,1H3,(H,28,29)/t13-,15-,19?/m0/s1
InChIKeySLVIGCRKLKFDQT-MEFJIFBHSA-N
MW441.40 g/mol
LogP3.42
Rot. Bonds4

About 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

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 (PubChem CID 166961583) has the molecular formula C20H20F5N5O and a molecular weight of 441.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1,1-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
PubChem CID166961583
Molecular FormulaC20H20F5N5O
Molecular Weight441.40 g/mol
Exact Mass441.16
IUPAC Name1,1,1-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
SMILESCC(O)(c1ccc2ncc(-c3cc(F)cc(N[C@H]4CNCC[C@@H]4F)n3)n2c1)C(F)(F)F
InChIInChI=1S/C20H20F5N5O/c1-19(31,20(23,24)25)11-2-3-18-27-9-16(30(18)10-11)14-6-12(21)7-17(28-14)29-15-8-26-5-4-13(15)22/h2-3,6-7,9-10,13,15,26,31H,4-5,8H2,1H3,(H,28,29)/t13-,15-,19?/m0/s1
InChIKeySLVIGCRKLKFDQT-MEFJIFBHSA-N
XLogP3.42
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(O)(c1ccc2ncc(-c3cc(F)cc(N[C@H]4CNCC[C@@H]4F)n3)n2c1)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is SLVIGCRKLKFDQT-MEFJIFBHSA-N. The full InChI is InChI=1S/C20H20F5N5O/c1-19(31,20(23,24)25)11-2-3-18-27-9-16(30(18)10-11)14-6-12(21)7-17(28-14)29-15-8-26-5-4-13(15)22/h2-3,6-7,9-10,13,15,26,31H,4-5,8H2,1H3,(H,28,29)/t13-,15-,19?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 441.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166961583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).