7-(cyclopropylmethoxymethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C19H26N4O — CID 118745245

IUPAC7-(cyclopropylmethoxymethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCc1cccc(CN2Cc3ccnn3CC(COCC3CC3)C2)n1
InChIInChI=1S/C19H26N4O/c1-15-3-2-4-18(21-15)11-22-9-17(14-24-13-16-5-6-16)10-23-19(12-22)7-8-20-23/h2-4,7-8,16-17H,5-6,9-14H2,1H3
InChIKeyUWNBZIYJDPRQGZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.65
Rot. Bonds6

About 7-(cyclopropylmethoxymethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

7-(cyclopropylmethoxymethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 118745245) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 7-(cyclopropylmethoxymethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name7-(cyclopropylmethoxymethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID118745245
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name7-(cyclopropylmethoxymethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCc1cccc(CN2Cc3ccnn3CC(COCC3CC3)C2)n1
InChIInChI=1S/C19H26N4O/c1-15-3-2-4-18(21-15)11-22-9-17(14-24-13-16-5-6-16)10-23-19(12-22)7-8-20-23/h2-4,7-8,16-17H,5-6,9-14H2,1H3
InChIKeyUWNBZIYJDPRQGZ-UHFFFAOYSA-N
XLogP2.65
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46954055
3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46954061
N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46961967
N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46961974
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine
CID 46991461
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-(pyridin-2-ylmethyl)morpholine
CID 53555236
1-[2-(Pyridin-3-YL)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-5-YL]ethan-1-one
CID 71686886
3-(Cyclopropylmethoxymethyl)-5-pyridin-3-yl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepine
CID 97405205
7-(cyclopropylmethoxymethyl)-2-methyl-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 118741161
N-(2-methoxyethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
CID 118746698
3-Methyl-1-[2-(pyridin-4-YL)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-5-YL]butan-1-one
CID 53014810
1-(2-Pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)propan-1-one
CID 53014811

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxymethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 7-(cyclopropylmethoxymethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 118745245) is 7-(cyclopropylmethoxymethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 7-(cyclopropylmethoxymethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 7-(cyclopropylmethoxymethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is Cc1cccc(CN2Cc3ccnn3CC(COCC3CC3)C2)n1.
What is the InChIKey of 7-(cyclopropylmethoxymethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is UWNBZIYJDPRQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-3-2-4-18(21-15)11-22-9-17(14-24-13-16-5-6-16)10-23-19(12-22)7-8-20-23/h2-4,7-8,16-17H,5-6,9-14H2,1H3.
What are the key properties of 7-(cyclopropylmethoxymethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
7-(cyclopropylmethoxymethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 326.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxymethyl)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 118745245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).