pyridin-2-yl-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol

C19H27N5O — CID 56887083

IUPACpyridin-2-yl-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol
SMILESOC(c1ccccn1)C1CCN(Cc2cc3n(n2)CCCNC3)CC1
InChIInChI=1S/C19H27N5O/c25-19(18-4-1-2-8-21-18)15-5-10-23(11-6-15)14-16-12-17-13-20-7-3-9-24(17)22-16/h1-2,4,8,12,15,19-20,25H,3,5-7,9-11,13-14H2
InChIKeyUIJOFGWZJLEFOQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.72
Rot. Bonds4

About pyridin-2-yl-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol

pyridin-2-yl-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol (PubChem CID 56887083) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is pyridin-2-yl-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Namepyridin-2-yl-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol
PubChem CID56887083
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Namepyridin-2-yl-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol
SMILESOC(c1ccccn1)C1CCN(Cc2cc3n(n2)CCCNC3)CC1
InChIInChI=1S/C19H27N5O/c25-19(18-4-1-2-8-21-18)15-5-10-23(11-6-15)14-16-12-17-13-20-7-3-9-24(17)22-16/h1-2,4,8,12,15,19-20,25H,3,5-7,9-11,13-14H2
InChIKeyUIJOFGWZJLEFOQ-UHFFFAOYSA-N
XLogP1.72
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of pyridin-2-yl-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol (CID 56887083) is pyridin-2-yl-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for pyridin-2-yl-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for pyridin-2-yl-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol is OC(c1ccccn1)C1CCN(Cc2cc3n(n2)CCCNC3)CC1.
What is the InChIKey of pyridin-2-yl-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is UIJOFGWZJLEFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c25-19(18-4-1-2-8-21-18)15-5-10-23(11-6-15)14-16-12-17-13-20-7-3-9-24(17)22-16/h1-2,4,8,12,15,19-20,25H,3,5-7,9-11,13-14H2.
What are the key properties of pyridin-2-yl-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol?
pyridin-2-yl-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 341.46 g/mol, XLogP of 1.72, 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-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 56887083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).