5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one

C18H23N5O3 — CID 56871629

IUPAC5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CCc1cc(=O)[nH]o1)C2
InChIInChI=1S/C18H23N5O3/c1-12-19-15-11-23(17(25)5-4-13-10-16(24)21-26-13)9-6-14(15)18(20-12)22-7-2-3-8-22/h10H,2-9,11H2,1H3,(H,21,24)
InChIKeyXYIUDHNOFFLTGZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.18
Rot. Bonds4

About 5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one

5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one (PubChem CID 56871629) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one
PubChem CID56871629
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CCc1cc(=O)[nH]o1)C2
InChIInChI=1S/C18H23N5O3/c1-12-19-15-11-23(17(25)5-4-13-10-16(24)21-26-13)9-6-14(15)18(20-12)22-7-2-3-8-22/h10H,2-9,11H2,1H3,(H,21,24)
InChIKeyXYIUDHNOFFLTGZ-UHFFFAOYSA-N
XLogP1.18
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one with MolForge

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Related Compounds

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CID 56883130
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CID 56903324
CID 56903324
CID 56861515
CID 56861515
CID 56864132
CID 56864132
CID 56867450
CID 56867450
CID 56875937
CID 56875937
CID 56891441
CID 56891441
CID 89752428
CID 89752428
CID 123370128
CID 123370128

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one (CID 56871629) is 5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one is Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CCc1cc(=O)[nH]o1)C2.
What is the InChIKey of 5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one?
The InChIKey is XYIUDHNOFFLTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12-19-15-11-23(17(25)5-4-13-10-16(24)21-26-13)9-6-14(15)18(20-12)22-7-2-3-8-22/h10H,2-9,11H2,1H3,(H,21,24).
What are the key properties of 5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one?
5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one has a molecular weight of 357.41 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-1,2-oxazol-3-one is sourced from PubChem (CID 56871629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).