4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C16H16N6O2 — CID 58182595

IUPAC4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H](Nc1ncnc2c1CCC(=O)N2)c1cc(C2=NC=CC2)no1
InChIInChI=1S/C16H16N6O2/c1-9(13-7-12(22-24-13)11-3-2-6-17-11)20-15-10-4-5-14(23)21-16(10)19-8-18-15/h2,6-9H,3-5H2,1H3,(H2,18,19,20,21,23)/t9-/m1/s1
InChIKeySVUOSDFXAXEPCZ-SECBINFHSA-N
MW324.34 g/mol
LogP2.23
Rot. Bonds4

About 4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 58182595) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID58182595
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H](Nc1ncnc2c1CCC(=O)N2)c1cc(C2=NC=CC2)no1
InChIInChI=1S/C16H16N6O2/c1-9(13-7-12(22-24-13)11-3-2-6-17-11)20-15-10-4-5-14(23)21-16(10)19-8-18-15/h2,6-9H,3-5H2,1H3,(H2,18,19,20,21,23)/t9-/m1/s1
InChIKeySVUOSDFXAXEPCZ-SECBINFHSA-N
XLogP2.23
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 58182595) is 4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is C[C@@H](Nc1ncnc2c1CCC(=O)N2)c1cc(C2=NC=CC2)no1.
What is the InChIKey of 4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SVUOSDFXAXEPCZ-SECBINFHSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-9(13-7-12(22-24-13)11-3-2-6-17-11)20-15-10-4-5-14(23)21-16(10)19-8-18-15/h2,6-9H,3-5H2,1H3,(H2,18,19,20,21,23)/t9-/m1/s1.
What are the key properties of 4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 324.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58182595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).