6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C31H33N7O2 — CID 71249883

IUPAC6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(-c2cnco2)ccc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C(C)C)c1=O
InChIInChI=1S/C31H33N7O2/c1-19(2)38-29-22(15-27(30(38)39)26-9-4-21(14-20(26)3)28-17-33-18-40-28)16-34-31(37-29)36-24-7-5-23(6-8-24)35-25-10-12-32-13-11-25/h4-9,14-19,25,32,35H,10-13H2,1-3H3,(H,34,36,37)
InChIKeyJOIWAZMCKFRXMU-UHFFFAOYSA-N
MW535.65 g/mol
LogP5.91
Rot. Bonds7

About 6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 71249883) has the molecular formula C31H33N7O2 and a molecular weight of 535.65 g/mol. Its IUPAC name is 6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID71249883
Molecular FormulaC31H33N7O2
Molecular Weight535.65 g/mol
Exact Mass535.27
IUPAC Name6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(-c2cnco2)ccc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C(C)C)c1=O
InChIInChI=1S/C31H33N7O2/c1-19(2)38-29-22(15-27(30(38)39)26-9-4-21(14-20(26)3)28-17-33-18-40-28)16-34-31(37-29)36-24-7-5-23(6-8-24)35-25-10-12-32-13-11-25/h4-9,14-19,25,32,35H,10-13H2,1-3H3,(H,34,36,37)
InChIKeyJOIWAZMCKFRXMU-UHFFFAOYSA-N
XLogP5.91
TPSA109.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 71249883) is 6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(-c2cnco2)ccc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C(C)C)c1=O.
What is the InChIKey of 6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JOIWAZMCKFRXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7O2/c1-19(2)38-29-22(15-27(30(38)39)26-9-4-21(14-20(26)3)28-17-33-18-40-28)16-34-31(37-29)36-24-7-5-23(6-8-24)35-25-10-12-32-13-11-25/h4-9,14-19,25,32,35H,10-13H2,1-3H3,(H,34,36,37).
What are the key properties of 6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 535.65 g/mol, XLogP of 5.91, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71249883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).