N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride

C16H17ClN6O — CID 154896836

IUPACN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cc2n(n1)CCNC2)c1ccc2nccnc2c1
InChIInChI=1S/C16H16N6O.ClH/c23-16(11-1-2-14-15(7-11)19-4-3-18-14)20-9-12-8-13-10-17-5-6-22(13)21-12;/h1-4,7-8,17H,5-6,9-10H2,(H,20,23);1H
InChIKeyNUUZJOPPPKNKIV-UHFFFAOYSA-N
MW344.81 g/mol
LogP1.28
Rot. Bonds3

About N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride

N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride (PubChem CID 154896836) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride
PubChem CID154896836
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC NameN-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cc2n(n1)CCNC2)c1ccc2nccnc2c1
InChIInChI=1S/C16H16N6O.ClH/c23-16(11-1-2-14-15(7-11)19-4-3-18-14)20-9-12-8-13-10-17-5-6-22(13)21-12;/h1-4,7-8,17H,5-6,9-10H2,(H,20,23);1H
InChIKeyNUUZJOPPPKNKIV-UHFFFAOYSA-N
XLogP1.28
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-dihydroisoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
CID 70737714
3-(1H-imidazol-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide;dihydrochloride
CID 154900753
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 154897116
4-(6-aminopyrimidin-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide
CID 121498277
5-(4-fluorophenyl)-2-hydroxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
CID 167922139
2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride
CID 154897139
2-chloro-5-piperidin-1-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide
CID 70719066
2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 70736280
2-(1,1,2,2-tetrafluoroethoxy)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide;hydrochloride
CID 154897110
5-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 74238439
N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]quinoline-6-carboxamide
CID 72888278
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
CID 154895023

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride?
The IUPAC name of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride (CID 154896836) is N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride?
The canonical SMILES for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride is Cl.O=C(NCc1cc2n(n1)CCNC2)c1ccc2nccnc2c1.
What is the InChIKey of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride?
The InChIKey is NUUZJOPPPKNKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O.ClH/c23-16(11-1-2-14-15(7-11)19-4-3-18-14)20-9-12-8-13-10-17-5-6-22(13)21-12;/h1-4,7-8,17H,5-6,9-10H2,(H,20,23);1H.
What are the key properties of N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride?
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride has a molecular weight of 344.81 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride is sourced from PubChem (CID 154896836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).