4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C23H31N5O4 — CID 110261064

IUPAC4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCN(C(=O)CCc3cc(OC(C)C)no3)C2)nc2c1CCC(=O)N2C
InChIInChI=1S/C23H31N5O4/c1-14(2)31-19-12-17(32-26-19)7-9-21(30)28-11-5-6-16(13-28)22-24-15(3)18-8-10-20(29)27(4)23(18)25-22/h12,14,16H,5-11,13H2,1-4H3
InChIKeyPWHOEVJMDUFRLW-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.81
Rot. Bonds6

About 4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110261064) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110261064
Molecular FormulaC23H31N5O4
Molecular Weight441.53 g/mol
Exact Mass441.24
IUPAC Name4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCCN(C(=O)CCc3cc(OC(C)C)no3)C2)nc2c1CCC(=O)N2C
InChIInChI=1S/C23H31N5O4/c1-14(2)31-19-12-17(32-26-19)7-9-21(30)28-11-5-6-16(13-28)22-24-15(3)18-8-10-20(29)27(4)23(18)25-22/h12,14,16H,5-11,13H2,1-4H3
InChIKeyPWHOEVJMDUFRLW-UHFFFAOYSA-N
XLogP2.81
TPSA101.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

4,8-dimethyl-2-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618825
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261025
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
2-[1-(4-fluorobenzoyl)piperidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268450
2-[1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-3-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249395
4,8-dimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261162
8-[(4-methoxyphenyl)methyl]-4-methyl-2-[(3R)-1-propanoylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95831252
1-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110263515
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 124942379
2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630187
8-[(3-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-(2-propan-2-yloxyacetyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 125008528
4-methyl-8-(3-methylbutyl)-2-[1-(4-pyridin-2-ylbutanoyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249388

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110261064) is 4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCCN(C(=O)CCc3cc(OC(C)C)no3)C2)nc2c1CCC(=O)N2C.
What is the InChIKey of 4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PWHOEVJMDUFRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4/c1-14(2)31-19-12-17(32-26-19)7-9-21(30)28-11-5-6-16(13-28)22-24-15(3)18-8-10-20(29)27(4)23(18)25-22/h12,14,16H,5-11,13H2,1-4H3.
What are the key properties of 4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 441.53 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-[1-[3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoyl]piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110261064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).