1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine

C24H20ClF3N6O — CID 143313238

IUPAC1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
SMILESCc1cc(CNC2CN(c3cnc(-c4ccc(C(F)(F)F)cc4)c(-c4ccncc4Cl)n3)C2)no1
InChIInChI=1S/C24H20ClF3N6O/c1-14-8-17(33-35-14)9-30-18-12-34(13-18)21-11-31-22(15-2-4-16(5-3-15)24(26,27)28)23(32-21)19-6-7-29-10-20(19)25/h2-8,10-11,18,30H,9,12-13H2,1H3
InChIKeyJZXMIGCEMAYICK-UHFFFAOYSA-N
MW500.91 g/mol
LogP5.15
Rot. Bonds6

About 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine

1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine (PubChem CID 143313238) has the molecular formula C24H20ClF3N6O and a molecular weight of 500.91 g/mol. Its IUPAC name is 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
PubChem CID143313238
Molecular FormulaC24H20ClF3N6O
Molecular Weight500.91 g/mol
Exact Mass500.13
IUPAC Name1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
SMILESCc1cc(CNC2CN(c3cnc(-c4ccc(C(F)(F)F)cc4)c(-c4ccncc4Cl)n3)C2)no1
InChIInChI=1S/C24H20ClF3N6O/c1-14-8-17(33-35-14)9-30-18-12-34(13-18)21-11-31-22(15-2-4-16(5-3-15)24(26,27)28)23(32-21)19-6-7-29-10-20(19)25/h2-8,10-11,18,30H,9,12-13H2,1H3
InChIKeyJZXMIGCEMAYICK-UHFFFAOYSA-N
XLogP5.15
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.91
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine?
The IUPAC name of 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine (CID 143313238) is 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine is Cc1cc(CNC2CN(c3cnc(-c4ccc(C(F)(F)F)cc4)c(-c4ccncc4Cl)n3)C2)no1.
What is the InChIKey of 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine?
The InChIKey is JZXMIGCEMAYICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N6O/c1-14-8-17(33-35-14)9-30-18-12-34(13-18)21-11-31-22(15-2-4-16(5-3-15)24(26,27)28)23(32-21)19-6-7-29-10-20(19)25/h2-8,10-11,18,30H,9,12-13H2,1H3.
What are the key properties of 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine?
1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine has a molecular weight of 500.91 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-chloro-4-pyridinyl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 143313238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).