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

C20H21F4N5O — CID 166961603

IUPAC1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1)C(F)(F)F
InChIInChI=1S/C20H21F4N5O/c1-19(30,20(22,23)24)12-5-6-18-26-10-16(29(18)11-12)14-3-2-4-17(27-14)28-15-9-25-8-7-13(15)21/h2-6,10-11,13,15,25,30H,7-9H2,1H3,(H,27,28)/t13-,15-,19?/m0/s1
InChIKeyUXNHXSBDEPPEKO-MEFJIFBHSA-N
MW423.41 g/mol
LogP3.28
Rot. Bonds4

About 1,1,1-trifluoro-2-[3-[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-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 166961603) has the molecular formula C20H21F4N5O and a molecular weight of 423.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-[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-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
PubChem CID166961603
Molecular FormulaC20H21F4N5O
Molecular Weight423.41 g/mol
Exact Mass423.17
IUPAC Name1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1)C(F)(F)F
InChIInChI=1S/C20H21F4N5O/c1-19(30,20(22,23)24)12-5-6-18-26-10-16(29(18)11-12)14-3-2-4-17(27-14)28-15-9-25-8-7-13(15)21/h2-6,10-11,13,15,25,30H,7-9H2,1H3,(H,27,28)/t13-,15-,19?/m0/s1
InChIKeyUXNHXSBDEPPEKO-MEFJIFBHSA-N
XLogP3.28
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.41
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-[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-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 166961603) is 1,1,1-trifluoro-2-[3-[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-[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-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-4-fluoropiperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The InChIKey is UXNHXSBDEPPEKO-MEFJIFBHSA-N. The full InChI is InChI=1S/C20H21F4N5O/c1-19(30,20(22,23)24)12-5-6-18-26-10-16(29(18)11-12)14-3-2-4-17(27-14)28-15-9-25-8-7-13(15)21/h2-6,10-11,13,15,25,30H,7-9H2,1H3,(H,27,28)/t13-,15-,19?/m0/s1.
What are the key properties of 1,1,1-trifluoro-2-[3-[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-[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 423.41 g/mol, XLogP of 3.28, 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-[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 166961603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).