formic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C20H23N5O7 — CID 155971663

IUPACformic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C[C@@H]2CN(C(=O)c3cc(C)nc4c3c(=O)[nH]c(=O)n4C)C[C@H]2O)on1.O=CO
InChIInChI=1S/C19H21N5O5.CH2O2/c1-9-5-13(15-16(20-9)23(3)19(28)21-17(15)26)18(27)24-7-11(14(25)8-24)6-12-4-10(2)22-29-12;2-1-3/h4-5,11,14,25H,6-8H2,1-3H3,(H,21,26,28);1H,(H,2,3)/t11-,14-;/m1./s1
InChIKeyTYZSVCWMTJMAOH-GBWFEORMSA-N
MW445.43 g/mol
LogP-0.40
Rot. Bonds3

About formic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

formic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 155971663) has the molecular formula C20H23N5O7 and a molecular weight of 445.43 g/mol. Its IUPAC name is formic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Nameformic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID155971663
Molecular FormulaC20H23N5O7
Molecular Weight445.43 g/mol
Exact Mass445.16
IUPAC Nameformic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C[C@@H]2CN(C(=O)c3cc(C)nc4c3c(=O)[nH]c(=O)n4C)C[C@H]2O)on1.O=CO
InChIInChI=1S/C19H21N5O5.CH2O2/c1-9-5-13(15-16(20-9)23(3)19(28)21-17(15)26)18(27)24-7-11(14(25)8-24)6-12-4-10(2)22-29-12;2-1-3/h4-5,11,14,25H,6-8H2,1-3H3,(H,21,26,28);1H,(H,2,3)/t11-,14-;/m1./s1
InChIKeyTYZSVCWMTJMAOH-GBWFEORMSA-N
XLogP-0.40
TPSA171.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.43
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze formic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[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

8-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3,7-dimethylpurine-2,6-dione
CID 135102006
(5-chloro-2-methylphenyl)-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134698089
[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)methanone
CID 157014097
(2,4-difluorophenyl)-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134699567
(5-chloro-2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 134708385
5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 135093330
1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-methylsulfanylethanone
CID 135114259
2-amino-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
CID 135111947
[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 135091669
1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 135117926
[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone
CID 135101005
(5-fluoro-3-pyridinyl)-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 135120323

Frequently Asked Questions

What is the IUPAC name of formic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of formic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 155971663) is formic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for formic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for formic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cc1cc(C[C@@H]2CN(C(=O)c3cc(C)nc4c3c(=O)[nH]c(=O)n4C)C[C@H]2O)on1.O=CO.
What is the InChIKey of formic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is TYZSVCWMTJMAOH-GBWFEORMSA-N. The full InChI is InChI=1S/C19H21N5O5.CH2O2/c1-9-5-13(15-16(20-9)23(3)19(28)21-17(15)26)18(27)24-7-11(14(25)8-24)6-12-4-10(2)22-29-12;2-1-3/h4-5,11,14,25H,6-8H2,1-3H3,(H,21,26,28);1H,(H,2,3)/t11-,14-;/m1./s1.
What are the key properties of formic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
formic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 445.43 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155971663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).