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

C22H32N6O2 — CID 95832524

IUPAC[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)c1c(C(C)C)noc1C)C2
InChIInChI=1S/C22H32N6O2/c1-13(2)19-18(14(3)30-26-19)22(29)28-11-8-16-17(12-28)24-20(25-21(16)23-4)15-6-9-27(5)10-7-15/h13,15H,6-12H2,1-5H3,(H,23,24,25)
InChIKeyIMJOYQXICYVXSE-UHFFFAOYSA-N
MW412.54 g/mol
LogP2.95
Rot. Bonds4

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

[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone (PubChem CID 95832524) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is [4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
PubChem CID95832524
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)c1c(C(C)C)noc1C)C2
InChIInChI=1S/C22H32N6O2/c1-13(2)19-18(14(3)30-26-19)22(29)28-11-8-16-17(12-28)24-20(25-21(16)23-4)15-6-9-27(5)10-7-15/h13,15H,6-12H2,1-5H3,(H,23,24,25)
InChIKeyIMJOYQXICYVXSE-UHFFFAOYSA-N
XLogP2.95
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone (CID 95832524) is [4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone is CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)c1c(C(C)C)noc1C)C2.
What is the InChIKey of [4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The InChIKey is IMJOYQXICYVXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-13(2)19-18(14(3)30-26-19)22(29)28-11-8-16-17(12-28)24-20(25-21(16)23-4)15-6-9-27(5)10-7-15/h13,15H,6-12H2,1-5H3,(H,23,24,25).
What are the key properties of [4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone has a molecular weight of 412.54 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 95832524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).