2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride

C20H18ClFN4S — CID 170567993

IUPAC2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
SMILESCC1Cn2nc(-c3ccc4cc(F)sc4c3)c(-c3ccncc3)c2CN1.Cl
InChIInChI=1S/C20H17FN4S.ClH/c1-12-11-25-16(10-23-12)19(13-4-6-22-7-5-13)20(24-25)15-3-2-14-9-18(21)26-17(14)8-15;/h2-9,12,23H,10-11H2,1H3;1H
InChIKeyDRICGPOCENFFSE-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.88
Rot. Bonds2

About 2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride

2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride (PubChem CID 170567993) has the molecular formula C20H18ClFN4S and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
PubChem CID170567993
Molecular FormulaC20H18ClFN4S
Molecular Weight400.91 g/mol
Exact Mass400.09
IUPAC Name2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
SMILESCC1Cn2nc(-c3ccc4cc(F)sc4c3)c(-c3ccncc3)c2CN1.Cl
InChIInChI=1S/C20H17FN4S.ClH/c1-12-11-25-16(10-23-12)19(13-4-6-22-7-5-13)20(24-25)15-3-2-14-9-18(21)26-17(14)8-15;/h2-9,12,23H,10-11H2,1H3;1H
InChIKeyDRICGPOCENFFSE-UHFFFAOYSA-N
XLogP4.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-2-(1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 175952753
2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 170327733
hydron;2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride
CID 170328065
3-[(6S)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]benzonitrile;hydrochloride
CID 170328233
tert-butyl (6R)-2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 175952756
(6S)-2-(4-chloro-2-fluorophenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride
CID 170327971
2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride
CID 170328157
2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170328201
3-[(6S)-6-(2-methylpropyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]benzonitrile;hydrochloride
CID 177001789
(6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327621
2-(4-ethylphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327906
2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327579

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The IUPAC name of 2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride (CID 170567993) is 2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride.
What is the SMILES notation for 2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The canonical SMILES for 2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride is CC1Cn2nc(-c3ccc4cc(F)sc4c3)c(-c3ccncc3)c2CN1.Cl.
What is the InChIKey of 2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The InChIKey is DRICGPOCENFFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4S.ClH/c1-12-11-25-16(10-23-12)19(13-4-6-22-7-5-13)20(24-25)15-3-2-14-9-18(21)26-17(14)8-15;/h2-9,12,23H,10-11H2,1H3;1H.
What are the key properties of 2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride has a molecular weight of 400.91 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride is sourced from PubChem (CID 170567993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).