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

C24H31ClN4O — CID 25168758

IUPAC[1-(3-chlorophenyl)-4-(4-cyclopropyl-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)cyclohexyl]methanamine
SMILESCOc1nc2c(c(C3CC3)n1)CCN(C1CCC(CN)(c3cccc(Cl)c3)CC1)C2
InChIInChI=1S/C24H31ClN4O/c1-30-23-27-21-14-29(12-9-20(21)22(28-23)16-5-6-16)19-7-10-24(15-26,11-8-19)17-3-2-4-18(25)13-17/h2-4,13,16,19H,5-12,14-15,26H2,1H3
InChIKeyNPFSREOVHUZHNB-UHFFFAOYSA-N
MW426.99 g/mol
LogP4.21
Rot. Bonds5

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

[1-(3-chlorophenyl)-4-(4-cyclopropyl-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)cyclohexyl]methanamine (PubChem CID 25168758) has the molecular formula C24H31ClN4O and a molecular weight of 426.99 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-4-(4-cyclopropyl-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-4-(4-cyclopropyl-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)cyclohexyl]methanamine
PubChem CID25168758
Molecular FormulaC24H31ClN4O
Molecular Weight426.99 g/mol
Exact Mass426.22
IUPAC Name[1-(3-chlorophenyl)-4-(4-cyclopropyl-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)cyclohexyl]methanamine
SMILESCOc1nc2c(c(C3CC3)n1)CCN(C1CCC(CN)(c3cccc(Cl)c3)CC1)C2
InChIInChI=1S/C24H31ClN4O/c1-30-23-27-21-14-29(12-9-20(21)22(28-23)16-5-6-16)19-7-10-24(15-26,11-8-19)17-3-2-4-18(25)13-17/h2-4,13,16,19H,5-12,14-15,26H2,1H3
InChIKeyNPFSREOVHUZHNB-UHFFFAOYSA-N
XLogP4.21
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(3-chlorophenyl)-4-(4-cyclopropyl-2-methoxy-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

Related Compounds

6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 70295852
[6-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-cyclopropylmethanamine;dihydrochloride
CID 89350307
3-[7-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 71184591
4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
CID 69039976
[1-(3-chlorophenyl)-4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]cyclohexyl]methanamine
CID 158623408
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1,4-dihydroisoquinolin-3-one
CID 70297048
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-(4-methylphenyl)pyridazin-3-one
CID 70296028
(8aR)-2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 70297118
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-phenylpiperazin-2-one
CID 70295374
methyl 6-[3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-oxoimidazolidin-1-yl]pyridine-3-carboxylate;hydrochloride
CID 71184657
4-[(4S)-3-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-methyl-2-oxoimidazolidin-1-yl]benzoic acid;hydrochloride
CID 71184314
[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 71201876

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-4-(4-cyclopropyl-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-chlorophenyl)-4-(4-cyclopropyl-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)cyclohexyl]methanamine (CID 25168758) is [1-(3-chlorophenyl)-4-(4-cyclopropyl-2-methoxy-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-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-chlorophenyl)-4-(4-cyclopropyl-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)cyclohexyl]methanamine is COc1nc2c(c(C3CC3)n1)CCN(C1CCC(CN)(c3cccc(Cl)c3)CC1)C2.
What is the InChIKey of [1-(3-chlorophenyl)-4-(4-cyclopropyl-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)cyclohexyl]methanamine?
The InChIKey is NPFSREOVHUZHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O/c1-30-23-27-21-14-29(12-9-20(21)22(28-23)16-5-6-16)19-7-10-24(15-26,11-8-19)17-3-2-4-18(25)13-17/h2-4,13,16,19H,5-12,14-15,26H2,1H3.
What are the key properties of [1-(3-chlorophenyl)-4-(4-cyclopropyl-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)cyclohexyl]methanamine?
[1-(3-chlorophenyl)-4-(4-cyclopropyl-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)cyclohexyl]methanamine has a molecular weight of 426.99 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-4-(4-cyclopropyl-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)cyclohexyl]methanamine is sourced from PubChem (CID 25168758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).