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

C20H18N4S — CID 175952753

IUPAC(6R)-2-(1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESC[C@@H]1Cn2nc(-c3ccc4ccsc4c3)c(-c3ccncc3)c2CN1
InChIInChI=1S/C20H18N4S/c1-13-12-24-17(11-22-13)19(15-4-7-21-8-5-15)20(23-24)16-3-2-14-6-9-25-18(14)10-16/h2-10,13,22H,11-12H2,1H3/t13-/m1/s1
InChIKeyHLNKHGUUHYFNBU-CYBMUJFWSA-N
MW346.46 g/mol
LogP4.32
Rot. Bonds2

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

(6R)-2-(1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 175952753) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is (6R)-2-(1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name(6R)-2-(1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID175952753
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC Name(6R)-2-(1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESC[C@@H]1Cn2nc(-c3ccc4ccsc4c3)c(-c3ccncc3)c2CN1
InChIInChI=1S/C20H18N4S/c1-13-12-24-17(11-22-13)19(15-4-7-21-8-5-15)20(23-24)16-3-2-14-6-9-25-18(14)10-16/h2-10,13,22H,11-12H2,1H3/t13-/m1/s1
InChIKeyHLNKHGUUHYFNBU-CYBMUJFWSA-N
XLogP4.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10377753, Example 130
CID 124175977
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16190616
N-(2-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
CID 155528043
N-(3-cyanophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]ethanethioamide
CID 155539034
N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
CID 155541940
2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide
CID 155553747
N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]ethanethioamide
CID 155562494
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine
CID 164628856
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-pyridin-4-ylpiperazine
CID 16190348
US20230339900, Example 118
CID 162760816
US20230339900, Example 145
CID 162760955
US11046686, Example 25
CID 146382312

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of (6R)-2-(1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 175952753) is (6R)-2-(1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for (6R)-2-(1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for (6R)-2-(1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is C[C@@H]1Cn2nc(-c3ccc4ccsc4c3)c(-c3ccncc3)c2CN1.
What is the InChIKey of (6R)-2-(1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is HLNKHGUUHYFNBU-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18N4S/c1-13-12-24-17(11-22-13)19(15-4-7-21-8-5-15)20(23-24)16-3-2-14-6-9-25-18(14)10-16/h2-10,13,22H,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (6R)-2-(1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
(6R)-2-(1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 346.46 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 175952753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).