2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one

C28H44N6O2 — CID 143813702

IUPAC2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCCC1=NC(C)Cc2c1nc(N(CCN1CCN(C(=O)C3CC3)CC1)CC1CCCCC1)[nH]c2=O
InChIInChI=1S/C28H44N6O2/c1-3-7-24-25-23(18-20(2)29-24)26(35)31-28(30-25)34(19-21-8-5-4-6-9-21)17-14-32-12-15-33(16-13-32)27(36)22-10-11-22/h20-22H,3-19H2,1-2H3,(H,30,31,35)
InChIKeySCJPMNVRSFWTFK-UHFFFAOYSA-N
MW496.70 g/mol
LogP3.24
Rot. Bonds9

About 2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one

2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 143813702) has the molecular formula C28H44N6O2 and a molecular weight of 496.70 g/mol. Its IUPAC name is 2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID143813702
Molecular FormulaC28H44N6O2
Molecular Weight496.70 g/mol
Exact Mass496.35
IUPAC Name2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCCC1=NC(C)Cc2c1nc(N(CCN1CCN(C(=O)C3CC3)CC1)CC1CCCCC1)[nH]c2=O
InChIInChI=1S/C28H44N6O2/c1-3-7-24-25-23(18-20(2)29-24)26(35)31-28(30-25)34(19-21-8-5-4-6-9-21)17-14-32-12-15-33(16-13-32)27(36)22-10-11-22/h20-22H,3-19H2,1-2H3,(H,30,31,35)
InChIKeySCJPMNVRSFWTFK-UHFFFAOYSA-N
XLogP3.24
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.70
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one (CID 143813702) is 2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one is CCCC1=NC(C)Cc2c1nc(N(CCN1CCN(C(=O)C3CC3)CC1)CC1CCCCC1)[nH]c2=O.
What is the InChIKey of 2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SCJPMNVRSFWTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N6O2/c1-3-7-24-25-23(18-20(2)29-24)26(35)31-28(30-25)34(19-21-8-5-4-6-9-21)17-14-32-12-15-33(16-13-32)27(36)22-10-11-22/h20-22H,3-19H2,1-2H3,(H,30,31,35).
What are the key properties of 2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 496.70 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]amino]-6-methyl-8-propyl-5,6-dihydro-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 143813702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).