2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C23H28N4 — CID 24930610

IUPAC2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCn1c(CN2CCc3cnc(C4CCCCC4)nc3C2)cc2ccccc21
InChIInChI=1S/C23H28N4/c1-26-20(13-18-9-5-6-10-22(18)26)15-27-12-11-19-14-24-23(25-21(19)16-27)17-7-3-2-4-8-17/h5-6,9-10,13-14,17H,2-4,7-8,11-12,15-16H2,1H3
InChIKeyRERYWIXUHYBWKP-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.57
Rot. Bonds3

About 2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930610) has the molecular formula C23H28N4 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930610
Molecular FormulaC23H28N4
Molecular Weight360.50 g/mol
Exact Mass360.23
IUPAC Name2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCn1c(CN2CCc3cnc(C4CCCCC4)nc3C2)cc2ccccc21
InChIInChI=1S/C23H28N4/c1-26-20(13-18-9-5-6-10-22(18)26)15-27-12-11-19-14-24-23(25-21(19)16-27)17-7-3-2-4-8-17/h5-6,9-10,13-14,17H,2-4,7-8,11-12,15-16H2,1H3
InChIKeyRERYWIXUHYBWKP-UHFFFAOYSA-N
XLogP4.57
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930615
2-[(2-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol
CID 24930355
2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930526
7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931513
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003
2-cyclohexyl-6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915182
methyl 3-[(2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]benzoate
CID 24930232
2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866217
2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930292
6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912305
2-cyclohexyl-6-[(5-methoxy-1-methylindol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911549
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929927

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930610) is 2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cn1c(CN2CCc3cnc(C4CCCCC4)nc3C2)cc2ccccc21.
What is the InChIKey of 2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is RERYWIXUHYBWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4/c1-26-20(13-18-9-5-6-10-22(18)26)15-27-12-11-19-14-24-23(25-21(19)16-27)17-7-3-2-4-8-17/h5-6,9-10,13-14,17H,2-4,7-8,11-12,15-16H2,1H3.
What are the key properties of 2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 360.50 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).