7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C17H25N5O3S — CID 131662727

IUPAC7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCn1cnc(S(=O)(=O)N2Cc3ccnn3CC(OCC3CCCC3)C2)c1
InChIInChI=1S/C17H25N5O3S/c1-20-11-17(18-13-20)26(23,24)21-8-15-6-7-19-22(15)10-16(9-21)25-12-14-4-2-3-5-14/h6-7,11,13-14,16H,2-5,8-10,12H2,1H3
InChIKeyBFKXGAPWIAXNGG-UHFFFAOYSA-N
MW379.49 g/mol
LogP1.40
Rot. Bonds5

About 7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 131662727) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is 7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID131662727
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC Name7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCn1cnc(S(=O)(=O)N2Cc3ccnn3CC(OCC3CCCC3)C2)c1
InChIInChI=1S/C17H25N5O3S/c1-20-11-17(18-13-20)26(23,24)21-8-15-6-7-19-22(15)10-16(9-21)25-12-14-4-2-3-5-14/h6-7,11,13-14,16H,2-5,8-10,12H2,1H3
InChIKeyBFKXGAPWIAXNGG-UHFFFAOYSA-N
XLogP1.40
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4S)-4-ethoxy-2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 124811465
2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 71861370
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
1-[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methylsulfanylethanone
CID 131694281
(3R,3aR,7aS)-3-(cyclopropylmethoxy)-1-(1-methylimidazol-4-yl)sulfonyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 133141580
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 62689062
3-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine
CID 100640808
4-(3-ethylsulfonylazetidin-1-yl)sulfonyl-1-methylimidazole
CID 121164701
3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628103
2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 20958646
3-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100653433
(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine
CID 95715901

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 131662727) is 7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is Cn1cnc(S(=O)(=O)N2Cc3ccnn3CC(OCC3CCCC3)C2)c1.
What is the InChIKey of 7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is BFKXGAPWIAXNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-20-11-17(18-13-20)26(23,24)21-8-15-6-7-19-22(15)10-16(9-21)25-12-14-4-2-3-5-14/h6-7,11,13-14,16H,2-5,8-10,12H2,1H3.
What are the key properties of 7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 379.49 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopentylmethoxy)-5-(1-methylimidazol-4-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 131662727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).