7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C24H35N5O3 — CID 136869359

IUPAC7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCN1C[C@@H](C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(CC2CCCCC2)C3)CC1=O
InChIInChI=1S/C24H35N5O3/c1-27-14-17(12-21(27)30)24(32)29-10-5-8-20(29)22-25-19-15-28(11-9-18(19)23(31)26-22)13-16-6-3-2-4-7-16/h16-17,20H,2-15H2,1H3,(H,25,26,31)/t17-,20+/m0/s1
InChIKeyWOVMGSVSPMTJJD-FXAWDEMLSA-N
MW441.58 g/mol
LogP1.85
Rot. Bonds4

About 7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136869359) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136869359
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC Name7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCN1C[C@@H](C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(CC2CCCCC2)C3)CC1=O
InChIInChI=1S/C24H35N5O3/c1-27-14-17(12-21(27)30)24(32)29-10-5-8-20(29)22-25-19-15-28(11-9-18(19)23(31)26-22)13-16-6-3-2-4-7-16/h16-17,20H,2-15H2,1H3,(H,25,26,31)/t17-,20+/m0/s1
InChIKeyWOVMGSVSPMTJJD-FXAWDEMLSA-N
XLogP1.85
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[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

Related Compounds

7-(cyclohexylmethyl)-2-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136795754
7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865778
6-(cyclohexylmethyl)-2-[(2S)-1-[(3S)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137090352
7-cyclohexyl-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774792
7-cyclohexyl-2-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774794
2-[(2R)-1-(cyclohexanecarbonyl)piperidin-2-yl]-7-ethylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136892414
2-[(2R)-1-(cyclopentanecarbonyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774689
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-7-ethylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796663
7-acetyl-2-[(2R)-1-(2-cyclohexylacetyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774883
2-[(2S)-1-(cyclobutanecarbonyl)piperidin-2-yl]-7-ethylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136892407
6-(cyclohexylmethyl)-2-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681630
2-[1-(2-cyclohexylacetyl)piperidin-2-yl]-7-(pyridin-4-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796709

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136869359) is 7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CN1C[C@@H](C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(CC2CCCCC2)C3)CC1=O.
What is the InChIKey of 7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is WOVMGSVSPMTJJD-FXAWDEMLSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-27-14-17(12-21(27)30)24(32)29-10-5-8-20(29)22-25-19-15-28(11-9-18(19)23(31)26-22)13-16-6-3-2-4-7-16/h16-17,20H,2-15H2,1H3,(H,25,26,31)/t17-,20+/m0/s1.
What are the key properties of 7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 441.58 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136869359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).