7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C23H30N6O3 — CID 136797060

IUPAC7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1ccn(CCC(=O)N2CCC(c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)n1
InChIInChI=1S/C23H30N6O3/c1-15-5-11-29(26-15)12-8-20(30)27-9-6-17(13-27)21-24-19-14-28(23(32)16-3-2-4-16)10-7-18(19)22(31)25-21/h5,11,16-17H,2-4,6-10,12-14H2,1H3,(H,24,25,31)
InChIKeyQNDUMJKTIVFDNV-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.37
Rot. Bonds5

About 7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136797060) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136797060
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1ccn(CCC(=O)N2CCC(c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)n1
InChIInChI=1S/C23H30N6O3/c1-15-5-11-29(26-15)12-8-20(30)27-9-6-17(13-27)21-24-19-14-28(23(32)16-3-2-4-16)10-7-18(19)22(31)25-21/h5,11,16-17H,2-4,6-10,12-14H2,1H3,(H,24,25,31)
InChIKeyQNDUMJKTIVFDNV-UHFFFAOYSA-N
XLogP1.37
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]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

3-methyl-4-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217936
5-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136203834
2-Methyl-7-(5-methyl-1-propylpyrazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136761506
7-[(1,3-Dimethylpyrazol-4-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136816506
4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 46963942
(4S)-4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 51498275
(4R)-4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 51498276
5,6-dimethyl-2-[(3R)-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92415304
5,6-dimethyl-2-[(3S)-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92415305
5,6-dimethyl-2-[(2R)-1-[3-(5-methylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92432233
5,6-dimethyl-2-[(2S)-1-[3-(5-methylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92432234
4-[(3R)-1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92567130

Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136797060) is 7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1ccn(CCC(=O)N2CCC(c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CCC3)C4)C2)n1.
What is the InChIKey of 7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is QNDUMJKTIVFDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-15-5-11-29(26-15)12-8-20(30)27-9-6-17(13-27)21-24-19-14-28(23(32)16-3-2-4-16)10-7-18(19)22(31)25-21/h5,11,16-17H,2-4,6-10,12-14H2,1H3,(H,24,25,31).
What are the key properties of 7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 438.53 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutanecarbonyl)-2-[1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136797060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).