3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine

C24H22ClF3N6 — CID 123765399

IUPAC3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine
SMILESFC(F)(F)CCNc1nc(-c2ccncc2)cn2c(-c3ccc(CNC4CC4)c(Cl)c3)cnc12
InChIInChI=1S/C24H22ClF3N6/c25-19-11-16(1-2-17(19)12-31-18-3-4-18)21-13-32-23-22(30-10-7-24(26,27)28)33-20(14-34(21)23)15-5-8-29-9-6-15/h1-2,5-6,8-9,11,13-14,18,31H,3-4,7,10,12H2,(H,30,33)
InChIKeyPBCPTCJVFMEBMG-UHFFFAOYSA-N
MW486.93 g/mol
LogP5.73
Rot. Bonds8

About 3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine

3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 123765399) has the molecular formula C24H22ClF3N6 and a molecular weight of 486.93 g/mol. Its IUPAC name is 3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID123765399
Molecular FormulaC24H22ClF3N6
Molecular Weight486.93 g/mol
Exact Mass486.15
IUPAC Name3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine
SMILESFC(F)(F)CCNc1nc(-c2ccncc2)cn2c(-c3ccc(CNC4CC4)c(Cl)c3)cnc12
InChIInChI=1S/C24H22ClF3N6/c25-19-11-16(1-2-17(19)12-31-18-3-4-18)21-13-32-23-22(30-10-7-24(26,27)28)33-20(14-34(21)23)15-5-8-29-9-6-15/h1-2,5-6,8-9,11,13-14,18,31H,3-4,7,10,12H2,(H,30,33)
InChIKeyPBCPTCJVFMEBMG-UHFFFAOYSA-N
XLogP5.73
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.93
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine (CID 123765399) is 3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine is FC(F)(F)CCNc1nc(-c2ccncc2)cn2c(-c3ccc(CNC4CC4)c(Cl)c3)cnc12.
What is the InChIKey of 3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is PBCPTCJVFMEBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N6/c25-19-11-16(1-2-17(19)12-31-18-3-4-18)21-13-32-23-22(30-10-7-24(26,27)28)33-20(14-34(21)23)15-5-8-29-9-6-15/h1-2,5-6,8-9,11,13-14,18,31H,3-4,7,10,12H2,(H,30,33).
What are the key properties of 3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine?
3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 486.93 g/mol, XLogP of 5.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-[(cyclopropylamino)methyl]phenyl]-6-pyridin-4-yl-N-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 123765399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).