1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C23H32N6O3 — CID 92625564

IUPAC1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCNc1nc(C2CCN(C(=O)c3c(C(C)C)noc3C)CC2)nc2c1CN(C(C)=O)CC2
InChIInChI=1S/C23H32N6O3/c1-13(2)20-19(14(3)32-27-20)23(31)28-9-6-16(7-10-28)21-25-18-8-11-29(15(4)30)12-17(18)22(24-5)26-21/h13,16H,6-12H2,1-5H3,(H,24,25,26)
InChIKeyBAWUODKBPPWMLE-UHFFFAOYSA-N
MW440.55 g/mol
LogP2.86
Rot. Bonds4

About 1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 92625564) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is 1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID92625564
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC Name1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCNc1nc(C2CCN(C(=O)c3c(C(C)C)noc3C)CC2)nc2c1CN(C(C)=O)CC2
InChIInChI=1S/C23H32N6O3/c1-13(2)20-19(14(3)32-27-20)23(31)28-9-6-16(7-10-28)21-25-18-8-11-29(15(4)30)12-17(18)22(24-5)26-21/h13,16H,6-12H2,1-5H3,(H,24,25,26)
InChIKeyBAWUODKBPPWMLE-UHFFFAOYSA-N
XLogP2.86
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 92625564) is 1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CNc1nc(C2CCN(C(=O)c3c(C(C)C)noc3C)CC2)nc2c1CN(C(C)=O)CC2.
What is the InChIKey of 1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is BAWUODKBPPWMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3/c1-13(2)20-19(14(3)32-27-20)23(31)28-9-6-16(7-10-28)21-25-18-8-11-29(15(4)30)12-17(18)22(24-5)26-21/h13,16H,6-12H2,1-5H3,(H,24,25,26).
What are the key properties of 1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 440.55 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 92625564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).