[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride

C19H24Cl2N6OS — CID 154894374

IUPAC[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(c1cccs1)N1CCCC(n2ccnc2-c2cc3n(n2)CCNC3)C1
InChIInChI=1S/C19H22N6OS.2ClH/c26-19(17-4-2-10-27-17)23-7-1-3-14(13-23)24-8-6-21-18(24)16-11-15-12-20-5-9-25(15)22-16;;/h2,4,6,8,10-11,14,20H,1,3,5,7,9,12-13H2;2*1H
InChIKeyGJJXLGFPQDBPBY-UHFFFAOYSA-N
MW455.42 g/mol
LogP3.23
Rot. Bonds3

About [3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride

[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride (PubChem CID 154894374) has the molecular formula C19H24Cl2N6OS and a molecular weight of 455.42 g/mol. Its IUPAC name is [3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride
PubChem CID154894374
Molecular FormulaC19H24Cl2N6OS
Molecular Weight455.42 g/mol
Exact Mass454.11
IUPAC Name[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(c1cccs1)N1CCCC(n2ccnc2-c2cc3n(n2)CCNC3)C1
InChIInChI=1S/C19H22N6OS.2ClH/c26-19(17-4-2-10-27-17)23-7-1-3-14(13-23)24-8-6-21-18(24)16-11-15-12-20-5-9-25(15)22-16;;/h2,4,6,8,10-11,14,20H,1,3,5,7,9,12-13H2;2*1H
InChIKeyGJJXLGFPQDBPBY-UHFFFAOYSA-N
XLogP3.23
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride with MolForge

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Related Compounds

[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-3-yl]-thiophen-2-ylmethanone;dihydrochloride
CID 154892679
[(3S)-3-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 124964692
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
(4R)-1-(4-fluorophenyl)-4-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]pyrrolidin-2-one
CID 95874630
[3-(cyclopentylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83999954
[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone;hydrochloride
CID 154889232
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159693
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549
N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053443
(3R)-N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784713

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride?
The IUPAC name of [3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride (CID 154894374) is [3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride?
The canonical SMILES for [3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride is Cl.Cl.O=C(c1cccs1)N1CCCC(n2ccnc2-c2cc3n(n2)CCNC3)C1.
What is the InChIKey of [3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride?
The InChIKey is GJJXLGFPQDBPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS.2ClH/c26-19(17-4-2-10-27-17)23-7-1-3-14(13-23)24-8-6-21-18(24)16-11-15-12-20-5-9-25(15)22-16;;/h2,4,6,8,10-11,14,20H,1,3,5,7,9,12-13H2;2*1H.
What are the key properties of [3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride?
[3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride has a molecular weight of 455.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 154894374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).