[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone

C20H28N6O3 — CID 72934703

IUPAC[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)C1CC(C(C)C)=NO1)CC2
InChIInChI=1S/C20H28N6O3/c1-12(2)15-10-16(29-24-15)18(27)26-9-6-14-13(11-26)17(23-20(21-3)22-14)19(28)25-7-4-5-8-25/h12,16H,4-11H2,1-3H3,(H,21,22,23)
InChIKeyUFMCOHPTWIQSCJ-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.44
Rot. Bonds4

About [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone

[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone (PubChem CID 72934703) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone
PubChem CID72934703
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC Name[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)C1CC(C(C)C)=NO1)CC2
InChIInChI=1S/C20H28N6O3/c1-12(2)15-10-16(29-24-15)18(27)26-9-6-14-13(11-26)17(23-20(21-3)22-14)19(28)25-7-4-5-8-25/h12,16H,4-11H2,1-3H3,(H,21,22,23)
InChIKeyUFMCOHPTWIQSCJ-UHFFFAOYSA-N
XLogP1.44
TPSA100.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The IUPAC name of [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone (CID 72934703) is [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone is CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(C(=O)C1CC(C(C)C)=NO1)CC2.
What is the InChIKey of [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
The InChIKey is UFMCOHPTWIQSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3/c1-12(2)15-10-16(29-24-15)18(27)26-9-6-14-13(11-26)17(23-20(21-3)22-14)19(28)25-7-4-5-8-25/h12,16H,4-11H2,1-3H3,(H,21,22,23).
What are the key properties of [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone?
[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone has a molecular weight of 400.48 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 72934703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).