(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

C18H18F4N6O — CID 167137335

IUPAC(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
SMILESC[C@@](O)(c1cn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2cn1)C(F)(F)F
InChIInChI=1S/C18H18F4N6O/c1-17(29,18(20,21)22)14-9-28-13(7-25-16(28)8-24-14)11-3-2-4-15(26-11)27-12-6-23-5-10(12)19/h2-4,7-10,12,23,29H,5-6H2,1H3,(H,26,27)/t10-,12-,17+/m0/s1
InChIKeyDUZLAUXGIFTIIN-QAGHZCBJSA-N
MW410.38 g/mol
LogP2.28
Rot. Bonds4

About (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

(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 (PubChem CID 167137335) has the molecular formula C18H18F4N6O and a molecular weight of 410.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167137335
Molecular FormulaC18H18F4N6O
Molecular Weight410.38 g/mol
Exact Mass410.15
IUPAC Name(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
SMILESC[C@@](O)(c1cn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2cn1)C(F)(F)F
InChIInChI=1S/C18H18F4N6O/c1-17(29,18(20,21)22)14-9-28-13(7-25-16(28)8-24-14)11-3-2-4-15(26-11)27-12-6-23-5-10(12)19/h2-4,7-10,12,23,29H,5-6H2,1H3,(H,26,27)/t10-,12-,17+/m0/s1
InChIKeyDUZLAUXGIFTIIN-QAGHZCBJSA-N
XLogP2.28
TPSA87.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@](O)(c1cn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2cn1)C(F)(F)F.
What is the InChIKey of (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?
The InChIKey is DUZLAUXGIFTIIN-QAGHZCBJSA-N. The full InChI is InChI=1S/C18H18F4N6O/c1-17(29,18(20,21)22)14-9-28-13(7-25-16(28)8-24-14)11-3-2-4-15(26-11)27-12-6-23-5-10(12)19/h2-4,7-10,12,23,29H,5-6H2,1H3,(H,26,27)/t10-,12-,17+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 410.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 167137335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).