7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C24H36N4O3 — CID 110261664

IUPAC7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc(C2CCCCN2C(=O)COC(C)C)nc2c1CC(=O)N2CC1CCCCC1
InChIInChI=1S/C24H36N4O3/c1-16(2)31-15-22(30)27-12-8-7-11-20(27)23-25-17(3)19-13-21(29)28(24(19)26-23)14-18-9-5-4-6-10-18/h16,18,20H,4-15H2,1-3H3
InChIKeyDETSMUSCKNXJJW-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.73
Rot. Bonds6

About 7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 110261664) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID110261664
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Name7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc(C2CCCCN2C(=O)COC(C)C)nc2c1CC(=O)N2CC1CCCCC1
InChIInChI=1S/C24H36N4O3/c1-16(2)31-15-22(30)27-12-8-7-11-20(27)23-25-17(3)19-13-21(29)28(24(19)26-23)14-18-9-5-4-6-10-18/h16,18,20H,4-15H2,1-3H3
InChIKeyDETSMUSCKNXJJW-UHFFFAOYSA-N
XLogP3.73
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-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

4,7-dimethyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261665
8-(cyclopropylmethyl)-4-methyl-2-[(2R)-1-(3-methylbutanoyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629774
4-methyl-8-(3-methylbutyl)-2-[1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260982
8-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629208
2-[(2S)-1-(2-aminopyridine-3-carbonyl)piperidin-2-yl]-7-(cyclohexylmethyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629443
4-methyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630067
4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630068
2-[(2R)-1-(2-methoxyacetyl)piperidin-2-yl]-7-[(4-methoxyphenyl)methyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629478
8-(cyclopropylmethyl)-4-methyl-2-[(2R)-1-[2-(4-methylpiperidin-1-yl)acetyl]piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630019
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-7-[(4-methoxyphenyl)methyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261719
8-(cyclohexylmethyl)-4-methyl-2-[(2S)-1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630536
8-[(3-fluorophenyl)methyl]-4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630515

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 110261664) is 7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1nc(C2CCCCN2C(=O)COC(C)C)nc2c1CC(=O)N2CC1CCCCC1.
What is the InChIKey of 7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is DETSMUSCKNXJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-16(2)31-15-22(30)27-12-8-7-11-20(27)23-25-17(3)19-13-21(29)28(24(19)26-23)14-18-9-5-4-6-10-18/h16,18,20H,4-15H2,1-3H3.
What are the key properties of 7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 428.58 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-4-methyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 110261664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).