(3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone

C20H19N7O2 — CID 145108171

IUPAC(3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCCC(Oc2nccn3nccc23)C1
InChIInChI=1S/C20H19N7O2/c28-20(16-5-1-2-6-17(16)27-23-9-10-24-27)25-12-3-4-15(14-25)29-19-18-7-8-22-26(18)13-11-21-19/h1-2,5-11,13,15H,3-4,12,14H2
InChIKeyMIHGHUBWAKRQNX-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.99
Rot. Bonds4

About (3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone

(3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 145108171) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is (3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
PubChem CID145108171
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name(3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCCC(Oc2nccn3nccc23)C1
InChIInChI=1S/C20H19N7O2/c28-20(16-5-1-2-6-17(16)27-23-9-10-24-27)25-12-3-4-15(14-25)29-19-18-7-8-22-26(18)13-11-21-19/h1-2,5-11,13,15H,3-4,12,14H2
InChIKeyMIHGHUBWAKRQNX-UHFFFAOYSA-N
XLogP1.99
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[3-[3-(2,2-difluoro-1-hydroxyethyl)imidazo[1,2-a]pyrazin-8-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 145108195
methyl 4-(azetidin-1-yl)-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144651679
4-methylsulfanyl-2-[(3R)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile
CID 144651700
[2-(triazol-2-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 134503624
[(3R)-3-[[4-(fluoromethoxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144697983
[2-(triazol-2-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone
CID 126746578
(3-quinolin-8-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 143981180
[(3R)-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134153918
[(3R)-3-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 130394208
[3-[3-(2-hydroxybutan-2-yl)phenoxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144739473
1-[2-(triazol-2-yl)benzoyl]piperidine-3-carbothioamide
CID 144786935
methyl 4-methyl-2-[(3R)-1-[6-(triazol-2-yl)cyclohexa-1,5-dien-3-yne-1-carbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144610227

Frequently Asked Questions

What is the IUPAC name of (3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of (3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone (CID 145108171) is (3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for (3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for (3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone is O=C(c1ccccc1-n1nccn1)N1CCCC(Oc2nccn3nccc23)C1.
What is the InChIKey of (3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is MIHGHUBWAKRQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c28-20(16-5-1-2-6-17(16)27-23-9-10-24-27)25-12-3-4-15(14-25)29-19-18-7-8-22-26(18)13-11-21-19/h1-2,5-11,13,15H,3-4,12,14H2.
What are the key properties of (3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone?
(3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 389.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrazolo[1,5-a]pyrazin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 145108171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).