1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

C28H31N5O3 — CID 55984527

IUPAC1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCn4cccc4C3c3ccccc3)cc(C(C)C)nc21
InChIInChI=1S/C28H31N5O3/c1-17(2)16-33-25-23(26(34)30-28(33)36)20(15-21(29-25)18(3)4)27(35)32-14-13-31-12-8-11-22(31)24(32)19-9-6-5-7-10-19/h5-12,15,17-18,24H,13-14,16H2,1-4H3,(H,30,34,36)
InChIKeyZDLNZMHGSQSQFF-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.91
Rot. Bonds5

About 1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 55984527) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID55984527
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCn4cccc4C3c3ccccc3)cc(C(C)C)nc21
InChIInChI=1S/C28H31N5O3/c1-17(2)16-33-25-23(26(34)30-28(33)36)20(15-21(29-25)18(3)4)27(35)32-14-13-31-12-8-11-22(31)24(32)19-9-6-5-7-10-19/h5-12,15,17-18,24H,13-14,16H2,1-4H3,(H,30,34,36)
InChIKeyZDLNZMHGSQSQFF-UHFFFAOYSA-N
XLogP3.91
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione 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

5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 52649591
N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 52714764
5-(3-methylpiperazine-1-carbonyl)-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 119576449
N-methyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-phenoxyethyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39320124
5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 39322932
1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267672
ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17413883
N-[2-[1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]methanesulfonamide
CID 166323090
1-ethyl-5-[4-(methylamino)piperidine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119563336
N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55921428
1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 18802061
3-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-1H-pyridin-2-one
CID 94813645

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (CID 55984527) is 1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCn4cccc4C3c3ccccc3)cc(C(C)C)nc21.
What is the InChIKey of 1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZDLNZMHGSQSQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-17(2)16-33-25-23(26(34)30-28(33)36)20(15-21(29-25)18(3)4)27(35)32-14-13-31-12-8-11-22(31)24(32)19-9-6-5-7-10-19/h5-12,15,17-18,24H,13-14,16H2,1-4H3,(H,30,34,36).
What are the key properties of 1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 485.59 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 55984527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).