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

C24H27N5O — CID 24917586

IUPAC6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1cc(-c2ncc3c(n2)CCN(Cc2ccc(OC4CCCCC4)nc2)C3)ccn1
InChIInChI=1S/C24H27N5O/c1-2-4-21(5-3-1)30-23-7-6-18(14-26-23)16-29-13-10-22-20(17-29)15-27-24(28-22)19-8-11-25-12-9-19/h6-9,11-12,14-15,21H,1-5,10,13,16-17H2
InChIKeyLMVVKAHYSXQEBU-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.20
Rot. Bonds5

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

6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24917586) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24917586
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1cc(-c2ncc3c(n2)CCN(Cc2ccc(OC4CCCCC4)nc2)C3)ccn1
InChIInChI=1S/C24H27N5O/c1-2-4-21(5-3-1)30-23-7-6-18(14-26-23)16-29-13-10-22-20(17-29)15-27-24(28-22)19-8-11-25-12-9-19/h6-9,11-12,14-15,21H,1-5,10,13,16-17H2
InChIKeyLMVVKAHYSXQEBU-UHFFFAOYSA-N
XLogP4.20
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917583
6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917562
6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917574
6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917578
6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917570
5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrimidin-2-amine
CID 24913513
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913429
6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914101
6-[(5-chloro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917775
2-phenyl-6-[(2-phenylpyrimidin-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912922
6-[[6-(3-ethoxyphenyl)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914311
6-[(3,5-dichloro-4-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913681

Frequently Asked Questions

What is the IUPAC name of 6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24917586) is 6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1cc(-c2ncc3c(n2)CCN(Cc2ccc(OC4CCCCC4)nc2)C3)ccn1.
What is the InChIKey of 6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is LMVVKAHYSXQEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-2-4-21(5-3-1)30-23-7-6-18(14-26-23)16-29-13-10-22-20(17-29)15-27-24(28-22)19-8-11-25-12-9-19/h6-9,11-12,14-15,21H,1-5,10,13,16-17H2.
What are the key properties of 6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 401.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-cyclohexyloxy-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24917586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).