4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one

C23H24N4O5 — CID 136735357

IUPAC4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCOc1cc(C(=O)N2CC[C@@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)cc(OC)c1OC
InChIInChI=1S/C23H24N4O5/c1-30-18-10-15(11-19(31-2)21(18)32-3)23(29)27-9-7-14(13-27)22-25-17(12-20(28)26-22)16-6-4-5-8-24-16/h4-6,8,10-12,14H,7,9,13H2,1-3H3,(H,25,26,28)/t14-/m1/s1
InChIKeyHCDJPQOIMMVZGX-CQSZACIVSA-N
MW436.47 g/mol
LogP2.49
Rot. Bonds6

About 4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one

4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136735357) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136735357
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCOc1cc(C(=O)N2CC[C@@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)cc(OC)c1OC
InChIInChI=1S/C23H24N4O5/c1-30-18-10-15(11-19(31-2)21(18)32-3)23(29)27-9-7-14(13-27)22-25-17(12-20(28)26-22)16-6-4-5-8-24-16/h4-6,8,10-12,14H,7,9,13H2,1-3H3,(H,25,26,28)/t14-/m1/s1
InChIKeyHCDJPQOIMMVZGX-CQSZACIVSA-N
XLogP2.49
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682322
4-pyridin-2-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136821000
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136678872
4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136735376
2-[(3R)-1-(2-methoxybenzoyl)pyrrolidin-3-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136850443
2-[(3R)-1-(3-methoxybenzoyl)pyrrolidin-3-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136850305
2-[(3R)-1-(3,4-difluorobenzoyl)pyrrolidin-3-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136869681
2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682319
2-[(3R)-1-[2-(4-methylsulfonylphenyl)acetyl]pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136850811
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 113088321
2-[(3S)-1-(2,5-dimethoxybenzoyl)pyrrolidin-3-yl]-4-(2-methoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136735402
2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136881140

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one (CID 136735357) is 4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one is COc1cc(C(=O)N2CC[C@@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)cc(OC)c1OC.
What is the InChIKey of 4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is HCDJPQOIMMVZGX-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-30-18-10-15(11-19(31-2)21(18)32-3)23(29)27-9-7-14(13-27)22-25-17(12-20(28)26-22)16-6-4-5-8-24-16/h4-6,8,10-12,14H,7,9,13H2,1-3H3,(H,25,26,28)/t14-/m1/s1.
What are the key properties of 4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 436.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136735357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).