[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone

C20H26N6O3 — CID 126891097

IUPAC[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
SMILESCOc1cc(N(C2CC2)C2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)ncn1
InChIInChI=1S/C20H26N6O3/c1-28-18-12-17(21-13-22-18)26(14-3-4-14)15-5-8-24(9-6-15)20(27)16-11-19-25(23-16)7-2-10-29-19/h11-15H,2-10H2,1H3
InChIKeyVBHIKODEDARGFM-UHFFFAOYSA-N
MW398.47 g/mol
LogP1.74
Rot. Bonds5

About [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone

[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone (PubChem CID 126891097) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone.

Molecular Properties

Compound Name[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
PubChem CID126891097
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
SMILESCOc1cc(N(C2CC2)C2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)ncn1
InChIInChI=1S/C20H26N6O3/c1-28-18-12-17(21-13-22-18)26(14-3-4-14)15-5-8-24(9-6-15)20(27)16-11-19-25(23-16)7-2-10-29-19/h11-15H,2-10H2,1H3
InChIKeyVBHIKODEDARGFM-UHFFFAOYSA-N
XLogP1.74
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone?
The IUPAC name of [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone (CID 126891097) is [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone.
What is the SMILES notation for [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone?
The canonical SMILES for [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone is COc1cc(N(C2CC2)C2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)ncn1.
What is the InChIKey of [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone?
The InChIKey is VBHIKODEDARGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-28-18-12-17(21-13-22-18)26(14-3-4-14)15-5-8-24(9-6-15)20(27)16-11-19-25(23-16)7-2-10-29-19/h11-15H,2-10H2,1H3.
What are the key properties of [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone?
[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone has a molecular weight of 398.47 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone is sourced from PubChem (CID 126891097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).