2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H34N4O3 — CID 136774733

IUPAC2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C1CCOCC1)CC2
InChIInChI=1S/C23H34N4O3/c28-22-18-15-26(17-9-13-30-14-10-17)12-8-19(18)24-21(25-22)20-7-4-11-27(20)23(29)16-5-2-1-3-6-16/h16-17,20H,1-15H2,(H,24,25,28)/t20-/m1/s1
InChIKeyZTFBJYGTEHITAU-HXUWFJFHSA-N
MW414.55 g/mol
LogP2.55
Rot. Bonds3

About 2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136774733) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136774733
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C1CCOCC1)CC2
InChIInChI=1S/C23H34N4O3/c28-22-18-15-26(17-9-13-30-14-10-17)12-8-19(18)24-21(25-22)20-7-4-11-27(20)23(29)16-5-2-1-3-6-16/h16-17,20H,1-15H2,(H,24,25,28)/t20-/m1/s1
InChIKeyZTFBJYGTEHITAU-HXUWFJFHSA-N
XLogP2.55
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-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-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136774733) is 2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(C1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C1CCOCC1)CC2.
What is the InChIKey of 2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ZTFBJYGTEHITAU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H34N4O3/c28-22-18-15-26(17-9-13-30-14-10-17)12-8-19(18)24-21(25-22)20-7-4-11-27(20)23(29)16-5-2-1-3-6-16/h16-17,20H,1-15H2,(H,24,25,28)/t20-/m1/s1.
What are the key properties of 2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 414.55 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(oxan-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136774733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).