(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol

C17H26N6O — CID 56888770

IUPAC(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol
SMILESCn1ccnc1C(O)C1CCN(Cc2cc3n(n2)CCNC3)CC1
InChIInChI=1S/C17H26N6O/c1-21-8-5-19-17(21)16(24)13-2-6-22(7-3-13)12-14-10-15-11-18-4-9-23(15)20-14/h5,8,10,13,16,18,24H,2-4,6-7,9,11-12H2,1H3
InChIKeyRQNYNLJSVLSLSA-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.67
Rot. Bonds4

About (1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol

(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol (PubChem CID 56888770) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol
PubChem CID56888770
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol
SMILESCn1ccnc1C(O)C1CCN(Cc2cc3n(n2)CCNC3)CC1
InChIInChI=1S/C17H26N6O/c1-21-8-5-19-17(21)16(24)13-2-6-22(7-3-13)12-14-10-15-11-18-4-9-23(15)20-14/h5,8,10,13,16,18,24H,2-4,6-7,9,11-12H2,1H3
InChIKeyRQNYNLJSVLSLSA-UHFFFAOYSA-N
XLogP0.67
TPSA71.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol (CID 56888770) is (1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol is Cn1ccnc1C(O)C1CCN(Cc2cc3n(n2)CCNC3)CC1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is RQNYNLJSVLSLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-21-8-5-19-17(21)16(24)13-2-6-22(7-3-13)12-14-10-15-11-18-4-9-23(15)20-14/h5,8,10,13,16,18,24H,2-4,6-7,9,11-12H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol?
(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 330.44 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 56888770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).