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

C20H26N6O2 — CID 126890390

IUPAC[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
SMILESCc1cc(N(C2CC2)C2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)ncn1
InChIInChI=1S/C20H26N6O2/c1-14-11-18(22-13-21-14)26(15-3-4-15)16-5-8-24(9-6-16)20(27)17-12-19-25(23-17)7-2-10-28-19/h11-13,15-16H,2-10H2,1H3
InChIKeyDYCQWBTZWYNWGW-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.04
Rot. Bonds4

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

[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone (PubChem CID 126890390) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is [4-[cyclopropyl-(6-methylpyrimidin-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-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
PubChem CID126890390
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
SMILESCc1cc(N(C2CC2)C2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)ncn1
InChIInChI=1S/C20H26N6O2/c1-14-11-18(22-13-21-14)26(15-3-4-15)16-5-8-24(9-6-16)20(27)17-12-19-25(23-17)7-2-10-28-19/h11-13,15-16H,2-10H2,1H3
InChIKeyDYCQWBTZWYNWGW-UHFFFAOYSA-N
XLogP2.04
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 53584858
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone
CID 71789358
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(3-((3-(dimethylamino)pyrazin-2-yl)oxy)piperidin-1-yl)methanone
CID 91628293
N-(4,6-dimethylpyrimidin-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789340
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(4-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91817847
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)methanone
CID 119100488
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(3-((5-fluoropyrimidin-2-yl)oxy)pyrrolidin-1-yl)methanone
CID 121017651
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(4-((2-methylpyrimidin-4-yl)oxy)piperidin-1-yl)methanone
CID 121162698
[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]-[4-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 56652419
[1-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]-[4-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 87133855
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90634417
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(3-((5-fluoropyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122258548

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl-(6-methylpyrimidin-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-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone (CID 126890390) is [4-[cyclopropyl-(6-methylpyrimidin-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-methylpyrimidin-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-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone is Cc1cc(N(C2CC2)C2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)ncn1.
What is the InChIKey of [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone?
The InChIKey is DYCQWBTZWYNWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-14-11-18(22-13-21-14)26(15-3-4-15)16-5-8-24(9-6-16)20(27)17-12-19-25(23-17)7-2-10-28-19/h11-13,15-16H,2-10H2,1H3.
What are the key properties of [4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone?
[4-[cyclopropyl-(6-methylpyrimidin-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 382.47 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl-(6-methylpyrimidin-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 126890390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).