4-amino-8-(7-fluoro-1H-indazol-6-yl)-7-methylcinnoline-3-carboxamide

C17H13FN6O — CID 71765162

IUPAC4-amino-8-(7-fluoro-1H-indazol-6-yl)-7-methylcinnoline-3-carboxamide
SMILESCc1ccc2c(N)c(C(N)=O)nnc2c1-c1ccc2cn[nH]c2c1F
InChIInChI=1S/C17H13FN6O/c1-7-2-4-10-13(19)16(17(20)25)24-23-15(10)11(7)9-5-3-8-6-21-22-14(8)12(9)18/h2-6H,1H3,(H2,19,23)(H2,20,25)(H,21,22)
InChIKeyUVBDMIMMCKYXDK-UHFFFAOYSA-N
MW336.33 g/mol
LogP2.30
Rot. Bonds2

About 4-amino-8-(7-fluoro-1H-indazol-6-yl)-7-methylcinnoline-3-carboxamide

4-amino-8-(7-fluoro-1H-indazol-6-yl)-7-methylcinnoline-3-carboxamide (PubChem CID 71765162) has the molecular formula C17H13FN6O and a molecular weight of 336.33 g/mol. Its IUPAC name is 4-amino-8-(7-fluoro-1H-indazol-6-yl)-7-methylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(7-fluoro-1H-indazol-6-yl)-7-methylcinnoline-3-carboxamide
PubChem CID71765162
Molecular FormulaC17H13FN6O
Molecular Weight336.33 g/mol
Exact Mass336.11
IUPAC Name4-amino-8-(7-fluoro-1H-indazol-6-yl)-7-methylcinnoline-3-carboxamide
SMILESCc1ccc2c(N)c(C(N)=O)nnc2c1-c1ccc2cn[nH]c2c1F
InChIInChI=1S/C17H13FN6O/c1-7-2-4-10-13(19)16(17(20)25)24-23-15(10)11(7)9-5-3-8-6-21-22-14(8)12(9)18/h2-6H,1H3,(H2,19,23)(H2,20,25)(H,21,22)
InChIKeyUVBDMIMMCKYXDK-UHFFFAOYSA-N
XLogP2.30
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-8-(1H-indazol-5-yl)-7-methylcinnoline-3-carboxamide
CID 71765469
4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide
CID 59791624
4-amino-8-(3-ethylbenzimidazol-5-yl)-7-methylcinnoline-3-carboxamide
CID 71765297
4-amino-8-(2,3-dimethylphenyl)-7-fluoro-N-propylcinnoline-3-carboxamide
CID 53240599
4-amino-7-fluoro-8-(4-fluoro-2-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 53240496
4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide
CID 59791555
4-amino-8-(4,6-dimethoxy-3-pyridinyl)-N-ethyl-7-fluorocinnoline-3-carboxamide
CID 174557820
4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide
CID 71765624
4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide
CID 70275502
4-amino-7-fluoro-8-[3-(4-methoxy-3-pyridinyl)propyl]cinnoline-3-carboxamide
CID 91089832
7-(5-methyl-1H-indazol-4-yl)isoquinoline-1-carboxamide
CID 71115097
7-ethyl-6-methyl-1H-indazole
CID 134184119

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(7-fluoro-1H-indazol-6-yl)-7-methylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(7-fluoro-1H-indazol-6-yl)-7-methylcinnoline-3-carboxamide (CID 71765162) is 4-amino-8-(7-fluoro-1H-indazol-6-yl)-7-methylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(7-fluoro-1H-indazol-6-yl)-7-methylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(7-fluoro-1H-indazol-6-yl)-7-methylcinnoline-3-carboxamide is Cc1ccc2c(N)c(C(N)=O)nnc2c1-c1ccc2cn[nH]c2c1F.
What is the InChIKey of 4-amino-8-(7-fluoro-1H-indazol-6-yl)-7-methylcinnoline-3-carboxamide?
The InChIKey is UVBDMIMMCKYXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O/c1-7-2-4-10-13(19)16(17(20)25)24-23-15(10)11(7)9-5-3-8-6-21-22-14(8)12(9)18/h2-6H,1H3,(H2,19,23)(H2,20,25)(H,21,22).
What are the key properties of 4-amino-8-(7-fluoro-1H-indazol-6-yl)-7-methylcinnoline-3-carboxamide?
4-amino-8-(7-fluoro-1H-indazol-6-yl)-7-methylcinnoline-3-carboxamide has a molecular weight of 336.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(7-fluoro-1H-indazol-6-yl)-7-methylcinnoline-3-carboxamide is sourced from PubChem (CID 71765162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).