7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide

C18H14N4O — CID 71115097

IUPAC7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1ccc2ccnc(C(N)=O)c2c1
InChIInChI=1S/C18H14N4O/c1-10-2-5-15-14(9-21-22-15)16(10)12-4-3-11-6-7-20-17(18(19)23)13(11)8-12/h2-9H,1H3,(H2,19,23)(H,21,22)
InChIKeyXCZOIOXXTQLNEU-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.19
Rot. Bonds2

About 7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide

7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide (PubChem CID 71115097) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide.

Molecular Properties

Compound Name7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide
PubChem CID71115097
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1ccc2ccnc(C(N)=O)c2c1
InChIInChI=1S/C18H14N4O/c1-10-2-5-15-14(9-21-22-15)16(10)12-4-3-11-6-7-20-17(18(19)23)13(11)8-12/h2-9H,1H3,(H2,19,23)(H,21,22)
InChIKeyXCZOIOXXTQLNEU-UHFFFAOYSA-N
XLogP3.19
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide?
The IUPAC name of 7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide (CID 71115097) is 7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide.
What is the SMILES notation for 7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide?
The canonical SMILES for 7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide is Cc1ccc2[nH]ncc2c1-c1ccc2ccnc(C(N)=O)c2c1.
What is the InChIKey of 7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide?
The InChIKey is XCZOIOXXTQLNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-10-2-5-15-14(9-21-22-15)16(10)12-4-3-11-6-7-20-17(18(19)23)13(11)8-12/h2-9H,1H3,(H2,19,23)(H,21,22).
What are the key properties of 7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide?
7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide is sourced from PubChem (CID 71115097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).