6-[[5-(cyclopentene-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile

C19H19N5O2 — CID 131638514

IUPAC6-[[5-(cyclopentene-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)C3=CCCC3)Cc3ccnn3C2)nc1
InChIInChI=1S/C19H19N5O2/c20-9-14-5-6-18(21-10-14)26-17-12-23(19(25)15-3-1-2-4-15)11-16-7-8-22-24(16)13-17/h3,5-8,10,17H,1-2,4,11-13H2
InChIKeyAZGJEDIAHJSWBB-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.05
Rot. Bonds3

About 6-[[5-(cyclopentene-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile

6-[[5-(cyclopentene-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile (PubChem CID 131638514) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-[[5-(cyclopentene-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[5-(cyclopentene-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile
PubChem CID131638514
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name6-[[5-(cyclopentene-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)C3=CCCC3)Cc3ccnn3C2)nc1
InChIInChI=1S/C19H19N5O2/c20-9-14-5-6-18(21-10-14)26-17-12-23(19(25)15-3-1-2-4-15)11-16-7-8-22-24(16)13-17/h3,5-8,10,17H,1-2,4,11-13H2
InChIKeyAZGJEDIAHJSWBB-UHFFFAOYSA-N
XLogP2.05
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(cyclopentene-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[[5-(cyclopentene-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile (CID 131638514) is 6-[[5-(cyclopentene-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[5-(cyclopentene-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[5-(cyclopentene-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile is N#Cc1ccc(OC2CN(C(=O)C3=CCCC3)Cc3ccnn3C2)nc1.
What is the InChIKey of 6-[[5-(cyclopentene-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile?
The InChIKey is AZGJEDIAHJSWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-9-14-5-6-18(21-10-14)26-17-12-23(19(25)15-3-1-2-4-15)11-16-7-8-22-24(16)13-17/h3,5-8,10,17H,1-2,4,11-13H2.
What are the key properties of 6-[[5-(cyclopentene-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile?
6-[[5-(cyclopentene-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(cyclopentene-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]oxy]pyridine-3-carbonitrile is sourced from PubChem (CID 131638514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).