3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol

C20H15ClF4N6O — CID 142611017

IUPAC3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNc1nc(-c2cn3ccnc3c(Cc3ccccc3F)n2)ncc1Cl)C(F)(F)F
InChIInChI=1S/C20H15ClF4N6O/c21-12-8-27-18(30-17(12)28-9-16(32)20(23,24)25)15-10-31-6-5-26-19(31)14(29-15)7-11-3-1-2-4-13(11)22/h1-6,8,10,16,32H,7,9H2,(H,27,28,30)
InChIKeyBLUSWZOSLGTJKD-UHFFFAOYSA-N
MW466.83 g/mol
LogP3.90
Rot. Bonds6

About 3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol

3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 142611017) has the molecular formula C20H15ClF4N6O and a molecular weight of 466.83 g/mol. Its IUPAC name is 3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol
PubChem CID142611017
Molecular FormulaC20H15ClF4N6O
Molecular Weight466.83 g/mol
Exact Mass466.09
IUPAC Name3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNc1nc(-c2cn3ccnc3c(Cc3ccccc3F)n2)ncc1Cl)C(F)(F)F
InChIInChI=1S/C20H15ClF4N6O/c21-12-8-27-18(30-17(12)28-9-16(32)20(23,24)25)15-10-31-6-5-26-19(31)14(29-15)7-11-3-1-2-4-13(11)22/h1-6,8,10,16,32H,7,9H2,(H,27,28,30)
InChIKeyBLUSWZOSLGTJKD-UHFFFAOYSA-N
XLogP3.90
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.83
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol (CID 142611017) is 3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol is OC(CNc1nc(-c2cn3ccnc3c(Cc3ccccc3F)n2)ncc1Cl)C(F)(F)F.
What is the InChIKey of 3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is BLUSWZOSLGTJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF4N6O/c21-12-8-27-18(30-17(12)28-9-16(32)20(23,24)25)15-10-31-6-5-26-19(31)14(29-15)7-11-3-1-2-4-13(11)22/h1-6,8,10,16,32H,7,9H2,(H,27,28,30).
What are the key properties of 3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol?
3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 466.83 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 142611017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).