4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide

C17H14N6O — CID 71765469

IUPAC4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide
SMILESCc1ccc2c(N)c(C(N)=O)nnc2c1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H14N6O/c1-8-2-4-11-14(18)16(17(19)24)23-22-15(11)13(8)9-3-5-12-10(6-9)7-20-21-12/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
InChIKeyIHPKDBCJGPOXBW-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.16
Rot. Bonds2

About 4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide

4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide (PubChem CID 71765469) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide
PubChem CID71765469
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide
SMILESCc1ccc2c(N)c(C(N)=O)nnc2c1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H14N6O/c1-8-2-4-11-14(18)16(17(19)24)23-22-15(11)13(8)9-3-5-12-10(6-9)7-20-21-12/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
InChIKeyIHPKDBCJGPOXBW-UHFFFAOYSA-N
XLogP2.16
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide (CID 71765469) is 4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide is Cc1ccc2c(N)c(C(N)=O)nnc2c1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide?
The InChIKey is IHPKDBCJGPOXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-8-2-4-11-14(18)16(17(19)24)23-22-15(11)13(8)9-3-5-12-10(6-9)7-20-21-12/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21).
What are the key properties of 4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide?
4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide is sourced from PubChem (CID 71765469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).