2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride

C21H31Cl2N5 — CID 154892862

IUPAC2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)CCN(C1CCN(Cc3cc4n(n3)CCNC4)CC1)C2
InChIInChI=1S/C21H29N5.2ClH/c1-2-4-18-15-25(11-5-17(18)3-1)20-6-9-24(10-7-20)16-19-13-21-14-22-8-12-26(21)23-19;;/h1-4,13,20,22H,5-12,14-16H2;2*1H
InChIKeyFGUNIEWVHWBHNL-UHFFFAOYSA-N
MW424.42 g/mol
LogP2.85
Rot. Bonds3

About 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride

2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride (PubChem CID 154892862) has the molecular formula C21H31Cl2N5 and a molecular weight of 424.42 g/mol. Its IUPAC name is 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride.

Molecular Properties

Compound Name2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
PubChem CID154892862
Molecular FormulaC21H31Cl2N5
Molecular Weight424.42 g/mol
Exact Mass423.20
IUPAC Name2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)CCN(C1CCN(Cc3cc4n(n3)CCNC4)CC1)C2
InChIInChI=1S/C21H29N5.2ClH/c1-2-4-18-15-25(11-5-17(18)3-1)20-6-9-24(10-7-20)16-19-13-21-14-22-8-12-26(21)23-19;;/h1-4,13,20,22H,5-12,14-16H2;2*1H
InChIKeyFGUNIEWVHWBHNL-UHFFFAOYSA-N
XLogP2.85
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride with MolForge

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Related Compounds

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2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The IUPAC name of 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride (CID 154892862) is 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride.
What is the SMILES notation for 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The canonical SMILES for 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride is Cl.Cl.c1ccc2c(c1)CCN(C1CCN(Cc3cc4n(n3)CCNC4)CC1)C2.
What is the InChIKey of 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The InChIKey is FGUNIEWVHWBHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5.2ClH/c1-2-4-18-15-25(11-5-17(18)3-1)20-6-9-24(10-7-20)16-19-13-21-14-22-8-12-26(21)23-19;;/h1-4,13,20,22H,5-12,14-16H2;2*1H.
What are the key properties of 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride?
2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride has a molecular weight of 424.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride is sourced from PubChem (CID 154892862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).