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

C23H32N4O3 — CID 136774759

IUPAC6-(2-cyclohexylacetyl)-2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)C3CC3)[nH]c(=O)c2C1
InChIInChI=1S/C23H32N4O3/c28-20(13-15-5-2-1-3-6-15)26-12-10-18-17(14-26)22(29)25-21(24-18)19-7-4-11-27(19)23(30)16-8-9-16/h15-16,19H,1-14H2,(H,24,25,29)/t19-/m1/s1
InChIKeyHZWRPRLSJRYANX-LJQANCHMSA-N
MW412.53 g/mol
LogP2.70
Rot. Bonds4

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

6-(2-cyclohexylacetyl)-2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136774759) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 6-(2-cyclohexylacetyl)-2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-cyclohexylacetyl)-2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136774759
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name6-(2-cyclohexylacetyl)-2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)C3CC3)[nH]c(=O)c2C1
InChIInChI=1S/C23H32N4O3/c28-20(13-15-5-2-1-3-6-15)26-12-10-18-17(14-26)22(29)25-21(24-18)19-7-4-11-27(19)23(30)16-8-9-16/h15-16,19H,1-14H2,(H,24,25,29)/t19-/m1/s1
InChIKeyHZWRPRLSJRYANX-LJQANCHMSA-N
XLogP2.70
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-cyclohexylacetyl)-2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(cyclopropylmethyl)-7-[3-(1-methyl-3-piperidinyl)propanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136216809
2-(cyclopropylmethyl)-7-[(1-isopropyl-5-oxo-3-pyrrolidinyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136232514
7-Cyclohexyl-2-(1-propanoylpyrrolidin-3-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796967
2-[3-(2-Methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 135719586
(6aS,9aR)-8-(cyclohexanecarbonyl)-2-methyl-5,6,6a,7,9,9a-hexahydro-3H-pyrrolo[3,4-h]quinazolin-4-one
CID 136680914
Tert-butyl 2-[(2-cyclohexyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidine-1-carboxylate
CID 135916483
2-[1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136676470
2-[(2S)-1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-2-yl]-7-cyclohexyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136676486
2-[(2R)-1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-2-yl]-7-cyclohexyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136676487
2-[1-(Cyclopentanecarbonyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136711446
2-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774676
2-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774677

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexylacetyl)-2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(2-cyclohexylacetyl)-2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136774759) is 6-(2-cyclohexylacetyl)-2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-cyclohexylacetyl)-2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-cyclohexylacetyl)-2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)C3CC3)[nH]c(=O)c2C1.
What is the InChIKey of 6-(2-cyclohexylacetyl)-2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HZWRPRLSJRYANX-LJQANCHMSA-N. The full InChI is InChI=1S/C23H32N4O3/c28-20(13-15-5-2-1-3-6-15)26-12-10-18-17(14-26)22(29)25-21(24-18)19-7-4-11-27(19)23(30)16-8-9-16/h15-16,19H,1-14H2,(H,24,25,29)/t19-/m1/s1.
What are the key properties of 6-(2-cyclohexylacetyl)-2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(2-cyclohexylacetyl)-2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 412.53 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylacetyl)-2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136774759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).