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

C21H28N6O2 — CID 110265758

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCNc1nc(C2CCCN(C(=O)c3cc(C4CC4)on3)C2)nc2c1CCN(C)C2
InChIInChI=1S/C21H28N6O2/c1-22-20-15-7-9-26(2)12-17(15)23-19(24-20)14-4-3-8-27(11-14)21(28)16-10-18(29-25-16)13-5-6-13/h10,13-14H,3-9,11-12H2,1-2H3,(H,22,23,24)
InChIKeyUOHCSBUQOHZXOJ-UHFFFAOYSA-N
MW396.50 g/mol
LogP2.39
Rot. Bonds4

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

(5-cyclopropyl-1,2-oxazol-3-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 110265758) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone
PubChem CID110265758
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCNc1nc(C2CCCN(C(=O)c3cc(C4CC4)on3)C2)nc2c1CCN(C)C2
InChIInChI=1S/C21H28N6O2/c1-22-20-15-7-9-26(2)12-17(15)23-19(24-20)14-4-3-8-27(11-14)21(28)16-10-18(29-25-16)13-5-6-13/h10,13-14H,3-9,11-12H2,1-2H3,(H,22,23,24)
InChIKeyUOHCSBUQOHZXOJ-UHFFFAOYSA-N
XLogP2.39
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone (CID 110265758) is (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone is CNc1nc(C2CCCN(C(=O)c3cc(C4CC4)on3)C2)nc2c1CCN(C)C2.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is UOHCSBUQOHZXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-22-20-15-7-9-26(2)12-17(15)23-19(24-20)14-4-3-8-27(11-14)21(28)16-10-18(29-25-16)13-5-6-13/h10,13-14H,3-9,11-12H2,1-2H3,(H,22,23,24).
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 396.50 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110265758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).