3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

C24H29N5O3 — CID 50779916

IUPAC3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCc1c(C)n(-c2ccccc2)c2ncn(CCC(=O)NCCCN3CCCC3=O)c(=O)c12
InChIInChI=1S/C24H29N5O3/c1-17-18(2)29(19-8-4-3-5-9-19)23-22(17)24(32)28(16-26-23)15-11-20(30)25-12-7-14-27-13-6-10-21(27)31/h3-5,8-9,16H,6-7,10-15H2,1-2H3,(H,25,30)
InChIKeySNLZIPWFYDZWFD-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.32
Rot. Bonds8

About 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (PubChem CID 50779916) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
PubChem CID50779916
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCc1c(C)n(-c2ccccc2)c2ncn(CCC(=O)NCCCN3CCCC3=O)c(=O)c12
InChIInChI=1S/C24H29N5O3/c1-17-18(2)29(19-8-4-3-5-9-19)23-22(17)24(32)28(16-26-23)15-11-20(30)25-12-7-14-27-13-6-10-21(27)31/h3-5,8-9,16H,6-7,10-15H2,1-2H3,(H,25,30)
InChIKeySNLZIPWFYDZWFD-UHFFFAOYSA-N
XLogP2.32
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-((S)-7-Acryloylamino-5-aza-spiro[2.4]hept-5-yl)-2-[4-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-nicotinamide
CID 118038240
N-cyclohexyl-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 852301
6-((1R,2S)-2-Aminocyclohexylamino)-4-(m-tolylamino)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 53251953
N-[2-Methyl-6-((2S,3'S)-2-methyl-[1,3']bipyrrolidinyl-1'-yl)-pyridin-3-yl]-benzamide
CID 54597083
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-methyl-4-(3-methylanilino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 58317600
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-nicotinamide
CID 118038619
6-[(3S)-3-[methyl(prop-2-enoyl)amino]pyrrolidin-1-yl]-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide
CID 118043198
9-Phenyl-6,7,8,9-tetrahydro-5H-1,3,9-triaza-fluoren-4-ol
CID 136056551
1,9-Dimethyl-4-oxo-N~2~-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,4-dihydropyrido[1,2-A]pyrrolo[2,3-D]pyrimidine-2-carboxamide
CID 3239936
N-(2-cyclohex-1-en-1-ylethyl)-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3242584
1-methyl-4-oxo-N-(2-phenylethyl)-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3659388
N-(2,3-dimethylphenyl)-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3681915

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The IUPAC name of 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (CID 50779916) is 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is Cc1c(C)n(-c2ccccc2)c2ncn(CCC(=O)NCCCN3CCCC3=O)c(=O)c12.
What is the InChIKey of 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The InChIKey is SNLZIPWFYDZWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-17-18(2)29(19-8-4-3-5-9-19)23-22(17)24(32)28(16-26-23)15-11-20(30)25-12-7-14-27-13-6-10-21(27)31/h3-5,8-9,16H,6-7,10-15H2,1-2H3,(H,25,30).
What are the key properties of 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide has a molecular weight of 435.53 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is sourced from PubChem (CID 50779916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).