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

C25H26Cl2N4 — CID 24914573

IUPAC2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1cccc(-c2ccc(CN3CCc4nc(C5CCCCC5)ncc4C3)cn2)c1Cl
InChIInChI=1S/C25H26Cl2N4/c26-21-8-4-7-20(24(21)27)23-10-9-17(13-28-23)15-31-12-11-22-19(16-31)14-29-25(30-22)18-5-2-1-3-6-18/h4,7-10,13-14,18H,1-3,5-6,11-12,15-16H2
InChIKeyBJUBMFCASSLKGK-UHFFFAOYSA-N
MW453.42 g/mol
LogP6.45
Rot. Bonds4

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

2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24914573) has the molecular formula C25H26Cl2N4 and a molecular weight of 453.42 g/mol. Its IUPAC name is 2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24914573
Molecular FormulaC25H26Cl2N4
Molecular Weight453.42 g/mol
Exact Mass452.15
IUPAC Name2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1cccc(-c2ccc(CN3CCc4nc(C5CCCCC5)ncc4C3)cn2)c1Cl
InChIInChI=1S/C25H26Cl2N4/c26-21-8-4-7-20(24(21)27)23-10-9-17(13-28-23)15-31-12-11-22-19(16-31)14-29-25(30-22)18-5-2-1-3-6-18/h4,7-10,13-14,18H,1-3,5-6,11-12,15-16H2
InChIKeyBJUBMFCASSLKGK-UHFFFAOYSA-N
XLogP6.45
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.42
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914572
2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914300
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003
6-[[6-(5-chloro-2-methoxyphenyl)-3-pyridinyl]methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914360
2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914549
6-[(2-chloro-6-methylphenyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929273
6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914101
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929927
6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912305
7-[(6-chloro-3-pyridinyl)methyl]-2-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931195
6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914110
2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928937

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24914573) is 2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1cccc(-c2ccc(CN3CCc4nc(C5CCCCC5)ncc4C3)cn2)c1Cl.
What is the InChIKey of 2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is BJUBMFCASSLKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4/c26-21-8-4-7-20(24(21)27)23-10-9-17(13-28-23)15-31-12-11-22-19(16-31)14-29-25(30-22)18-5-2-1-3-6-18/h4,7-10,13-14,18H,1-3,5-6,11-12,15-16H2.
What are the key properties of 2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 453.42 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24914573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).