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

C18H25N5O — CID 56887456

IUPACpyridin-2-yl-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol
SMILESOC(c1ccccn1)C1CCN(Cc2cc3n(n2)CCNC3)CC1
InChIInChI=1S/C18H25N5O/c24-18(17-3-1-2-6-20-17)14-4-8-22(9-5-14)13-15-11-16-12-19-7-10-23(16)21-15/h1-3,6,11,14,18-19,24H,4-5,7-10,12-13H2
InChIKeyLWSXKSSSOILBCK-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.33
Rot. Bonds4

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

pyridin-2-yl-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol (PubChem CID 56887456) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is pyridin-2-yl-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Namepyridin-2-yl-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol
PubChem CID56887456
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Namepyridin-2-yl-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol
SMILESOC(c1ccccn1)C1CCN(Cc2cc3n(n2)CCNC3)CC1
InChIInChI=1S/C18H25N5O/c24-18(17-3-1-2-6-20-17)14-4-8-22(9-5-14)13-15-11-16-12-19-7-10-23(16)21-15/h1-3,6,11,14,18-19,24H,4-5,7-10,12-13H2
InChIKeyLWSXKSSSOILBCK-UHFFFAOYSA-N
XLogP1.33
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 123133208
CID 123133208
CID 44270494
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CID 56887083
CID 56887083
CID 118747137
CID 118747137
CID 118747252
CID 118747252
CID 53193324
CID 53193324
CID 53193332
CID 53193332
CID 53193338
CID 53193338
CID 90647867
CID 90647867
CID 97837251
CID 97837251

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of pyridin-2-yl-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol (CID 56887456) is pyridin-2-yl-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for pyridin-2-yl-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for pyridin-2-yl-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol is OC(c1ccccn1)C1CCN(Cc2cc3n(n2)CCNC3)CC1.
What is the InChIKey of pyridin-2-yl-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is LWSXKSSSOILBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c24-18(17-3-1-2-6-20-17)14-4-8-22(9-5-14)13-15-11-16-12-19-7-10-23(16)21-15/h1-3,6,11,14,18-19,24H,4-5,7-10,12-13H2.
What are the key properties of pyridin-2-yl-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol?
pyridin-2-yl-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 327.43 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 56887456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).