[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea

C16H15F3N6O3 — CID 175752851

IUPAC[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea
SMILESCOc1cnc([C@H](NC(N)=O)C(F)(F)F)cc1-c1cn2ccnc2c(OC)n1
InChIInChI=1S/C16H15F3N6O3/c1-27-11-6-22-9(12(16(17,18)19)24-15(20)26)5-8(11)10-7-25-4-3-21-13(25)14(23-10)28-2/h3-7,12H,1-2H3,(H3,20,24,26)/t12-/m0/s1
InChIKeySQKCGULPBJYCOP-LBPRGKRZSA-N
MW396.33 g/mol
LogP2.08
Rot. Bonds5

About [(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea

[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea (PubChem CID 175752851) has the molecular formula C16H15F3N6O3 and a molecular weight of 396.33 g/mol. Its IUPAC name is [(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea.

Molecular Properties

Compound Name[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea
PubChem CID175752851
Molecular FormulaC16H15F3N6O3
Molecular Weight396.33 g/mol
Exact Mass396.12
IUPAC Name[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea
SMILESCOc1cnc([C@H](NC(N)=O)C(F)(F)F)cc1-c1cn2ccnc2c(OC)n1
InChIInChI=1S/C16H15F3N6O3/c1-27-11-6-22-9(12(16(17,18)19)24-15(20)26)5-8(11)10-7-25-4-3-21-13(25)14(23-10)28-2/h3-7,12H,1-2H3,(H3,20,24,26)/t12-/m0/s1
InChIKeySQKCGULPBJYCOP-LBPRGKRZSA-N
XLogP2.08
TPSA116.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea?
The IUPAC name of [(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea (CID 175752851) is [(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea.
What is the SMILES notation for [(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea?
The canonical SMILES for [(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea is COc1cnc([C@H](NC(N)=O)C(F)(F)F)cc1-c1cn2ccnc2c(OC)n1.
What is the InChIKey of [(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea?
The InChIKey is SQKCGULPBJYCOP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15F3N6O3/c1-27-11-6-22-9(12(16(17,18)19)24-15(20)26)5-8(11)10-7-25-4-3-21-13(25)14(23-10)28-2/h3-7,12H,1-2H3,(H3,20,24,26)/t12-/m0/s1.
What are the key properties of [(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea?
[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea has a molecular weight of 396.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea is sourced from PubChem (CID 175752851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).