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

C19H19F4N5O — CID 166961626

IUPAC1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1)C(F)(F)F
InChIInChI=1S/C19H19F4N5O/c1-18(29,19(21,22)23)11-5-6-17-25-9-15(28(17)10-11)13-3-2-4-16(26-13)27-14-8-24-7-12(14)20/h2-6,9-10,12,14,24,29H,7-8H2,1H3,(H,26,27)/t12-,14-,18?/m0/s1
InChIKeyPFTAJGZYJHDZOW-OHASFMIRSA-N
MW409.39 g/mol
LogP2.89
Rot. Bonds4

About 1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-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-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 166961626) has the molecular formula C19H19F4N5O and a molecular weight of 409.39 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-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-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
PubChem CID166961626
Molecular FormulaC19H19F4N5O
Molecular Weight409.39 g/mol
Exact Mass409.15
IUPAC Name1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1)C(F)(F)F
InChIInChI=1S/C19H19F4N5O/c1-18(29,19(21,22)23)11-5-6-17-25-9-15(28(17)10-11)13-3-2-4-16(26-13)27-14-8-24-7-12(14)20/h2-6,9-10,12,14,24,29H,7-8H2,1H3,(H,26,27)/t12-,14-,18?/m0/s1
InChIKeyPFTAJGZYJHDZOW-OHASFMIRSA-N
XLogP2.89
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-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-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 166961626) is 1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-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-fluoropyrrolidin-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-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The InChIKey is PFTAJGZYJHDZOW-OHASFMIRSA-N. The full InChI is InChI=1S/C19H19F4N5O/c1-18(29,19(21,22)23)11-5-6-17-25-9-15(28(17)10-11)13-3-2-4-16(26-13)27-14-8-24-7-12(14)20/h2-6,9-10,12,14,24,29H,7-8H2,1H3,(H,26,27)/t12-,14-,18?/m0/s1.
What are the key properties of 1,1,1-trifluoro-2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-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-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 409.39 g/mol, XLogP of 2.89, 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-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 166961626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).