(7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C19H24N6O — CID 97381896

IUPAC(7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCn1cc(CN2Cc3ccnn3C[C@H](COCc3ccccn3)C2)cn1
InChIInChI=1S/C19H24N6O/c1-23-9-16(8-22-23)10-24-11-17(12-25-19(13-24)5-7-21-25)14-26-15-18-4-2-3-6-20-18/h2-9,17H,10-15H2,1H3/t17-/m1/s1
InChIKeyLUGHMCAWUOBXNA-QGZVFWFLSA-N
MW352.44 g/mol
LogP1.86
Rot. Bonds6

About (7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

(7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 97381896) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is (7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name(7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID97381896
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name(7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCn1cc(CN2Cc3ccnn3C[C@H](COCc3ccccn3)C2)cn1
InChIInChI=1S/C19H24N6O/c1-23-9-16(8-22-23)10-24-11-17(12-25-19(13-24)5-7-21-25)14-26-15-18-4-2-3-6-20-18/h2-9,17H,10-15H2,1H3/t17-/m1/s1
InChIKeyLUGHMCAWUOBXNA-QGZVFWFLSA-N
XLogP1.86
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of (7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 97381896) is (7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for (7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for (7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is Cn1cc(CN2Cc3ccnn3C[C@H](COCc3ccccn3)C2)cn1.
What is the InChIKey of (7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is LUGHMCAWUOBXNA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N6O/c1-23-9-16(8-22-23)10-24-11-17(12-25-19(13-24)5-7-21-25)14-26-15-18-4-2-3-6-20-18/h2-9,17H,10-15H2,1H3/t17-/m1/s1.
What are the key properties of (7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
(7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 352.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 97381896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).