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

C20H27N5O2 — CID 56863591

IUPAC[3-(2-methylpropyl)-1,2-oxazol-5-yl]-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1cc(CC(C)C)no1)C2
InChIInChI=1S/C20H27N5O2/c1-13(2)10-15-11-18(27-23-15)20(26)25-9-6-16-17(12-25)21-14(3)22-19(16)24-7-4-5-8-24/h11,13H,4-10,12H2,1-3H3
InChIKeyLRMTZRYJZROWEU-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.77
Rot. Bonds4

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

[3-(2-methylpropyl)-1,2-oxazol-5-yl]-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (PubChem CID 56863591) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [3-(2-methylpropyl)-1,2-oxazol-5-yl]-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
PubChem CID56863591
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1cc(CC(C)C)no1)C2
InChIInChI=1S/C20H27N5O2/c1-13(2)10-15-11-18(27-23-15)20(26)25-9-6-16-17(12-25)21-14(3)22-19(16)24-7-4-5-8-24/h11,13H,4-10,12H2,1-3H3
InChIKeyLRMTZRYJZROWEU-UHFFFAOYSA-N
XLogP2.77
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (CID 56863591) is [3-(2-methylpropyl)-1,2-oxazol-5-yl]-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.
What is the SMILES notation for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The canonical SMILES for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1cc(CC(C)C)no1)C2.
What is the InChIKey of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The InChIKey is LRMTZRYJZROWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-13(2)10-15-11-18(27-23-15)20(26)25-9-6-16-17(12-25)21-14(3)22-19(16)24-7-4-5-8-24/h11,13H,4-10,12H2,1-3H3.
What are the key properties of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is sourced from PubChem (CID 56863591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).