5-ethylidene-1-pyridin-4-yl-1,4,7,8,9,10-hexahydrocyclohepta[e]indazol-6-one

C19H19N3O — CID 90003150

IUPAC5-ethylidene-1-pyridin-4-yl-1,4,7,8,9,10-hexahydrocyclohepta[e]indazol-6-one
SMILESCC=C1CC2=C(C3=C1C(=O)CCCC3)C(c1ccncc1)N=N2
InChIInChI=1S/C19H19N3O/c1-2-12-11-15-18(14-5-3-4-6-16(23)17(12)14)19(22-21-15)13-7-9-20-10-8-13/h2,7-10,19H,3-6,11H2,1H3
InChIKeyDIIWGDRJAPJDHD-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.63
Rot. Bonds1

About 5-ethylidene-1-pyridin-4-yl-1,4,7,8,9,10-hexahydrocyclohepta[e]indazol-6-one

5-ethylidene-1-pyridin-4-yl-1,4,7,8,9,10-hexahydrocyclohepta[e]indazol-6-one (PubChem CID 90003150) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-ethylidene-1-pyridin-4-yl-1,4,7,8,9,10-hexahydrocyclohepta[e]indazol-6-one.

Molecular Properties

Compound Name5-ethylidene-1-pyridin-4-yl-1,4,7,8,9,10-hexahydrocyclohepta[e]indazol-6-one
PubChem CID90003150
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name5-ethylidene-1-pyridin-4-yl-1,4,7,8,9,10-hexahydrocyclohepta[e]indazol-6-one
SMILESCC=C1CC2=C(C3=C1C(=O)CCCC3)C(c1ccncc1)N=N2
InChIInChI=1S/C19H19N3O/c1-2-12-11-15-18(14-5-3-4-6-16(23)17(12)14)19(22-21-15)13-7-9-20-10-8-13/h2,7-10,19H,3-6,11H2,1H3
InChIKeyDIIWGDRJAPJDHD-UHFFFAOYSA-N
XLogP4.63
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-1-pyridin-4-yl-1,4,7,8,9,10-hexahydrocyclohepta[e]indazol-6-one?
The IUPAC name of 5-ethylidene-1-pyridin-4-yl-1,4,7,8,9,10-hexahydrocyclohepta[e]indazol-6-one (CID 90003150) is 5-ethylidene-1-pyridin-4-yl-1,4,7,8,9,10-hexahydrocyclohepta[e]indazol-6-one.
What is the SMILES notation for 5-ethylidene-1-pyridin-4-yl-1,4,7,8,9,10-hexahydrocyclohepta[e]indazol-6-one?
The canonical SMILES for 5-ethylidene-1-pyridin-4-yl-1,4,7,8,9,10-hexahydrocyclohepta[e]indazol-6-one is CC=C1CC2=C(C3=C1C(=O)CCCC3)C(c1ccncc1)N=N2.
What is the InChIKey of 5-ethylidene-1-pyridin-4-yl-1,4,7,8,9,10-hexahydrocyclohepta[e]indazol-6-one?
The InChIKey is DIIWGDRJAPJDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-12-11-15-18(14-5-3-4-6-16(23)17(12)14)19(22-21-15)13-7-9-20-10-8-13/h2,7-10,19H,3-6,11H2,1H3.
What are the key properties of 5-ethylidene-1-pyridin-4-yl-1,4,7,8,9,10-hexahydrocyclohepta[e]indazol-6-one?
5-ethylidene-1-pyridin-4-yl-1,4,7,8,9,10-hexahydrocyclohepta[e]indazol-6-one has a molecular weight of 305.38 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-1-pyridin-4-yl-1,4,7,8,9,10-hexahydrocyclohepta[e]indazol-6-one is sourced from PubChem (CID 90003150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).