(3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

C25H27N5O2 — CID 4243699

IUPAC(3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCOc1cccc(C(=O)N2CCc3nc(-c4ccncc4)nc(N4CCCCC4)c3C2)c1
InChIInChI=1S/C25H27N5O2/c1-32-20-7-5-6-19(16-20)25(31)30-15-10-22-21(17-30)24(29-13-3-2-4-14-29)28-23(27-22)18-8-11-26-12-9-18/h5-9,11-12,16H,2-4,10,13-15,17H2,1H3
InChIKeyHQBLLHHLGGNAEQ-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.74
Rot. Bonds4

About (3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone

(3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 4243699) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is (3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID4243699
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name(3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESCOc1cccc(C(=O)N2CCc3nc(-c4ccncc4)nc(N4CCCCC4)c3C2)c1
InChIInChI=1S/C25H27N5O2/c1-32-20-7-5-6-19(16-20)25(31)30-15-10-22-21(17-30)24(29-13-3-2-4-14-29)28-23(27-22)18-8-11-26-12-9-18/h5-9,11-12,16H,2-4,10,13-15,17H2,1H3
InChIKeyHQBLLHHLGGNAEQ-UHFFFAOYSA-N
XLogP3.74
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone 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

4-(azepan-1-yl)-N-(3-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 4026439
(3-methoxyphenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855482
N-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 5260842
3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile
CID 5260847
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 83283739
(4-fluorophenyl)-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7360577
(3-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050638
[4-(3-fluorophenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methoxyphenyl)methanone
CID 42871270
(4-tert-butylphenyl)-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42786931
(4-bromophenyl)-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42786935
6-(3-methoxyphenyl)sulfonyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 4647615

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 4243699) is (3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is COc1cccc(C(=O)N2CCc3nc(-c4ccncc4)nc(N4CCCCC4)c3C2)c1.
What is the InChIKey of (3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is HQBLLHHLGGNAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-32-20-7-5-6-19(16-20)25(31)30-15-10-22-21(17-30)24(29-13-3-2-4-14-29)28-23(27-22)18-8-11-26-12-9-18/h5-9,11-12,16H,2-4,10,13-15,17H2,1H3.
What are the key properties of (3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
(3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 429.52 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(4-piperidin-1-yl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 4243699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).