2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline

C21H21N7O — CID 154883270

IUPAC2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline
SMILESCn1cc(-c2cnc(OC3CCN(c4cnc5ccccc5n4)CC3)nc2)cn1
InChIInChI=1S/C21H21N7O/c1-27-14-16(12-25-27)15-10-23-21(24-11-15)29-17-6-8-28(9-7-17)20-13-22-18-4-2-3-5-19(18)26-20/h2-5,10-14,17H,6-9H2,1H3
InChIKeyZTJQRTRXCPGKDH-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.87
Rot. Bonds4

About 2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline

2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline (PubChem CID 154883270) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline
PubChem CID154883270
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline
SMILESCn1cc(-c2cnc(OC3CCN(c4cnc5ccccc5n4)CC3)nc2)cn1
InChIInChI=1S/C21H21N7O/c1-27-14-16(12-25-27)15-10-23-21(24-11-15)29-17-6-8-28(9-7-17)20-13-22-18-4-2-3-5-19(18)26-20/h2-5,10-14,17H,6-9H2,1H3
InChIKeyZTJQRTRXCPGKDH-UHFFFAOYSA-N
XLogP2.87
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-1,3-thiazole
CID 154853735
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
CID 154830090
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901
3-[2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 154583961
2-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
CID 154853753
2-(1-quinoxalin-2-ylpiperidin-4-yl)oxyethanamine
CID 82692840
2-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-4-yl]oxy-5-(1-methylpyrazol-4-yl)pyrimidine
CID 154883246
2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline
CID 86773032
3-(1-quinoxalin-2-ylpiperidin-4-yl)oxypropan-1-amine
CID 79737038
2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline
CID 171702682
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline
CID 95342310
2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline
CID 108776804

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline?
The IUPAC name of 2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline (CID 154883270) is 2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline is Cn1cc(-c2cnc(OC3CCN(c4cnc5ccccc5n4)CC3)nc2)cn1.
What is the InChIKey of 2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline?
The InChIKey is ZTJQRTRXCPGKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-27-14-16(12-25-27)15-10-23-21(24-11-15)29-17-6-8-28(9-7-17)20-13-22-18-4-2-3-5-19(18)26-20/h2-5,10-14,17H,6-9H2,1H3.
What are the key properties of 2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline?
2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline has a molecular weight of 387.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxypiperidin-1-yl]quinoxaline is sourced from PubChem (CID 154883270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).