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

C29H32F2N6O — CID 83290336

IUPAC(2,4-difluorophenyl)-[2-(4-phenylpiperazin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCc2nc(N3CCN(c4ccccc4)CC3)nc(N3CCCCC3)c2C1
InChIInChI=1S/C29H32F2N6O/c30-21-9-10-23(25(31)19-21)28(38)37-14-11-26-24(20-37)27(35-12-5-2-6-13-35)33-29(32-26)36-17-15-34(16-18-36)22-7-3-1-4-8-22/h1,3-4,7-10,19H,2,5-6,11-18,20H2
InChIKeyAQUKAQCQQHODOW-UHFFFAOYSA-N
MW518.61 g/mol
LogP4.27
Rot. Bonds4

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

(2,4-difluorophenyl)-[2-(4-phenylpiperazin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 83290336) has the molecular formula C29H32F2N6O and a molecular weight of 518.61 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[2-(4-phenylpiperazin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[2-(4-phenylpiperazin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID83290336
Molecular FormulaC29H32F2N6O
Molecular Weight518.61 g/mol
Exact Mass518.26
IUPAC Name(2,4-difluorophenyl)-[2-(4-phenylpiperazin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCc2nc(N3CCN(c4ccccc4)CC3)nc(N3CCCCC3)c2C1
InChIInChI=1S/C29H32F2N6O/c30-21-9-10-23(25(31)19-21)28(38)37-14-11-26-24(20-37)27(35-12-5-2-6-13-35)33-29(32-26)36-17-15-34(16-18-36)22-7-3-1-4-8-22/h1,3-4,7-10,19H,2,5-6,11-18,20H2
InChIKeyAQUKAQCQQHODOW-UHFFFAOYSA-N
XLogP4.27
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.61
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,4-difluorophenyl)-[2-(4-phenylpiperazin-1-yl)-4-piperidin-1-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

(2,4-difluorophenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050510
(2-chlorophenyl)-(2-piperidin-1-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42855739
(2,4-difluorophenyl)-[4-(dimethylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050656
(2,4-difluorophenyl)-[4-(2-fluorophenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46073764
(2-methylphenyl)-(4-morpholin-4-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 46050939
(4-fluorophenyl)-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7360577
(2-chlorophenyl)-[4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855695
[4-(dimethylamino)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
CID 46050696
[4-(dimethylamino)-2-[4-(4-methylphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-fluorophenyl)methanone
CID 46050250
furan-2-yl-(2-morpholin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 83279074
(2-morpholin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-thiophen-2-ylmethanone
CID 46050995
(3,4-dichlorophenyl)-[4-(4-methylpiperazin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855702

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[2-(4-phenylpiperazin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[2-(4-phenylpiperazin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 83290336) is (2,4-difluorophenyl)-[2-(4-phenylpiperazin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[2-(4-phenylpiperazin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[2-(4-phenylpiperazin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is O=C(c1ccc(F)cc1F)N1CCc2nc(N3CCN(c4ccccc4)CC3)nc(N3CCCCC3)c2C1.
What is the InChIKey of (2,4-difluorophenyl)-[2-(4-phenylpiperazin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is AQUKAQCQQHODOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N6O/c30-21-9-10-23(25(31)19-21)28(38)37-14-11-26-24(20-37)27(35-12-5-2-6-13-35)33-29(32-26)36-17-15-34(16-18-36)22-7-3-1-4-8-22/h1,3-4,7-10,19H,2,5-6,11-18,20H2.
What are the key properties of (2,4-difluorophenyl)-[2-(4-phenylpiperazin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2,4-difluorophenyl)-[2-(4-phenylpiperazin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 518.61 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[2-(4-phenylpiperazin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 83290336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).