4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride

C27H30ClN5O2 — CID 11656141

IUPAC4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride
SMILESCl.O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C27H29N5O2.ClH/c33-26-25(22-10-2-1-3-11-22)23-12-5-7-16-31(23)27(34)32(26)17-9-8-15-29-18-20-30(21-19-29)24-13-4-6-14-28-24;/h1-7,10-14,16H,8-9,15,17-21H2;1H
InChIKeyJWYONSLUGSLTRR-UHFFFAOYSA-N
MW492.02 g/mol
LogP3.55
Rot. Bonds7

About 4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride

4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride (PubChem CID 11656141) has the molecular formula C27H30ClN5O2 and a molecular weight of 492.02 g/mol. Its IUPAC name is 4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride.

Molecular Properties

Compound Name4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride
PubChem CID11656141
Molecular FormulaC27H30ClN5O2
Molecular Weight492.02 g/mol
Exact Mass491.21
IUPAC Name4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride
SMILESCl.O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C27H29N5O2.ClH/c33-26-25(22-10-2-1-3-11-22)23-12-5-7-16-31(23)27(34)32(26)17-9-8-15-29-18-20-30(21-19-29)24-13-4-6-14-28-24;/h1-7,10-14,16H,8-9,15,17-21H2;1H
InChIKeyJWYONSLUGSLTRR-UHFFFAOYSA-N
XLogP3.55
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride with MolForge

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Related Compounds

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4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
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5-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrrolo[1,2-a]quinoxalin-4-one
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CID 28598378
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
2-butyl-1,3-dimethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrrolo[3,4-c]pyrrole-4,6-dione
CID 3073720
4,10-bis[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 10652152
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
3-[5-(4-pyrimidin-4-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride?
The IUPAC name of 4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride (CID 11656141) is 4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride.
What is the SMILES notation for 4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride?
The canonical SMILES for 4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride is Cl.O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride?
The InChIKey is JWYONSLUGSLTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2.ClH/c33-26-25(22-10-2-1-3-11-22)23-12-5-7-16-31(23)27(34)32(26)17-9-8-15-29-18-20-30(21-19-29)24-13-4-6-14-28-24;/h1-7,10-14,16H,8-9,15,17-21H2;1H.
What are the key properties of 4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride?
4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride has a molecular weight of 492.02 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[1,2-c]pyrimidine-1,3-dione;hydrochloride is sourced from PubChem (CID 11656141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).