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

C24H36N4O3 — CID 136766617

IUPAC7-cyclopentyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOC1CCC(C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCC3)C4)C2)CC1
InChIInChI=1S/C24H36N4O3/c1-31-19-8-6-16(7-9-19)24(30)28-12-10-17(14-28)22-25-21-15-27(18-4-2-3-5-18)13-11-20(21)23(29)26-22/h16-19H,2-15H2,1H3,(H,25,26,29)/t16?,17-,19?/m1/s1
InChIKeyRVARIKQFKGPQMK-TVRKMHQQSA-N
MW428.58 g/mol
LogP2.59
Rot. Bonds4

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

7-cyclopentyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136766617) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is 7-cyclopentyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-cyclopentyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136766617
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Name7-cyclopentyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOC1CCC(C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCC3)C4)C2)CC1
InChIInChI=1S/C24H36N4O3/c1-31-19-8-6-16(7-9-19)24(30)28-12-10-17(14-28)22-25-21-15-27(18-4-2-3-5-18)13-11-20(21)23(29)26-22/h16-19H,2-15H2,1H3,(H,25,26,29)/t16?,17-,19?/m1/s1
InChIKeyRVARIKQFKGPQMK-TVRKMHQQSA-N
XLogP2.59
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-cyclopentyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-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

6-(4-Methoxycyclohexanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136253576
2-[(3S)-1-(4-methoxycyclohexanecarbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136676471
2-[(3R)-1-(4-methoxycyclohexanecarbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136676472
7-cyclopentyl-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136676484
7-cyclopentyl-2-[(2R)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136676485
7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136676492
7-(cyclopropanecarbonyl)-2-[(2R)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136676493
2-[(2S)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-2-yl]-7-methylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136766611
2-[(2R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-2-yl]-7-methylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136766612
7-cyclopentyl-2-[(3S)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136766618
7-cyclohexyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136766619
7-cyclohexyl-2-[(3S)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136766620

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-cyclopentyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136766617) is 7-cyclopentyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-cyclopentyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-cyclopentyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COC1CCC(C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCC3)C4)C2)CC1.
What is the InChIKey of 7-cyclopentyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RVARIKQFKGPQMK-TVRKMHQQSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-31-19-8-6-16(7-9-19)24(30)28-12-10-17(14-28)22-25-21-15-27(18-4-2-3-5-18)13-11-20(21)23(29)26-22/h16-19H,2-15H2,1H3,(H,25,26,29)/t16?,17-,19?/m1/s1.
What are the key properties of 7-cyclopentyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-cyclopentyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 428.58 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136766617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).