[1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine

C24H28ClF3N4 — CID 71184352

IUPAC[1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine
SMILESNCC1(c2cccc(Cl)c2)CCC(N2CCc3c(nc(C(F)(F)F)nc3C3CC3)C2)CC1
InChIInChI=1S/C24H28ClF3N4/c25-17-3-1-2-16(12-17)23(14-29)9-6-18(7-10-23)32-11-8-19-20(13-32)30-22(24(26,27)28)31-21(19)15-4-5-15/h1-3,12,15,18H,4-11,13-14,29H2
InChIKeyYODQSKIUWISPCU-UHFFFAOYSA-N
MW464.96 g/mol
LogP5.22
Rot. Bonds4

About [1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine

[1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine (PubChem CID 71184352) has the molecular formula C24H28ClF3N4 and a molecular weight of 464.96 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine
PubChem CID71184352
Molecular FormulaC24H28ClF3N4
Molecular Weight464.96 g/mol
Exact Mass464.20
IUPAC Name[1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine
SMILESNCC1(c2cccc(Cl)c2)CCC(N2CCc3c(nc(C(F)(F)F)nc3C3CC3)C2)CC1
InChIInChI=1S/C24H28ClF3N4/c25-17-3-1-2-16(12-17)23(14-29)9-6-18(7-10-23)32-11-8-19-20(13-32)30-22(24(26,27)28)31-21(19)15-4-5-15/h1-3,12,15,18H,4-11,13-14,29H2
InChIKeyYODQSKIUWISPCU-UHFFFAOYSA-N
XLogP5.22
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.96
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine 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 [1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine?
The IUPAC name of [1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine (CID 71184352) is [1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine?
The canonical SMILES for [1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine is NCC1(c2cccc(Cl)c2)CCC(N2CCc3c(nc(C(F)(F)F)nc3C3CC3)C2)CC1.
What is the InChIKey of [1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine?
The InChIKey is YODQSKIUWISPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClF3N4/c25-17-3-1-2-16(12-17)23(14-29)9-6-18(7-10-23)32-11-8-19-20(13-32)30-22(24(26,27)28)31-21(19)15-4-5-15/h1-3,12,15,18H,4-11,13-14,29H2.
What are the key properties of [1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine?
[1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine has a molecular weight of 464.96 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-4-[4-cyclopropyl-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]cyclohexyl]methanamine is sourced from PubChem (CID 71184352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).