7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C26H33N5O2 — CID 124972672

IUPAC7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1cccc(N(C)CCC(=O)N2CC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)C4)C2)c1
InChIInChI=1S/C26H33N5O2/c1-17-5-4-6-21(13-17)29(3)11-10-23(32)30-12-9-20(16-30)25-27-18(2)22-14-24(33)31(26(22)28-25)15-19-7-8-19/h4-6,13,19-20H,7-12,14-16H2,1-3H3/t20-/m1/s1
InChIKeyKEVWTGPMDNGVJH-HXUWFJFHSA-N
MW447.58 g/mol
LogP3.23
Rot. Bonds7

About 7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 124972672) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID124972672
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1cccc(N(C)CCC(=O)N2CC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)C4)C2)c1
InChIInChI=1S/C26H33N5O2/c1-17-5-4-6-21(13-17)29(3)11-10-23(32)30-12-9-20(16-30)25-27-18(2)22-14-24(33)31(26(22)28-25)15-19-7-8-19/h4-6,13,19-20H,7-12,14-16H2,1-3H3/t20-/m1/s1
InChIKeyKEVWTGPMDNGVJH-HXUWFJFHSA-N
XLogP3.23
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

2-[(3S)-1-[3-(4-methoxy-N-methylanilino)propanoyl]pyrrolidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 125001382
7-benzyl-4-methyl-2-[(3R)-1-(2-propan-2-yloxyacetyl)pyrrolidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 124952748
8-(cyclohexylmethyl)-2-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127252287
8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 125014355
2-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-7-(3-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 127249600
2-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-7-[(2-fluorophenyl)methyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 127249599
N-[2-[(3S)-3-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 125015105
7-[2-(4-fluorophenyl)ethyl]-4-methyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 124995408
8-(cyclohexylmethyl)-4-methyl-2-[(3S)-1-(1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124978079
2-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-[2-(3-methylphenyl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249292
7-[2-(2-fluorophenyl)ethyl]-2-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 124983532
8-(cyclopropylmethyl)-2-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95831238

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 124972672) is 7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1cccc(N(C)CCC(=O)N2CC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)C4)C2)c1.
What is the InChIKey of 7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is KEVWTGPMDNGVJH-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-17-5-4-6-21(13-17)29(3)11-10-23(32)30-12-9-20(16-30)25-27-18(2)22-14-24(33)31(26(22)28-25)15-19-7-8-19/h4-6,13,19-20H,7-12,14-16H2,1-3H3/t20-/m1/s1.
What are the key properties of 7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 447.58 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 124972672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).