N-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide

C21H19N5O3 — CID 24748322

IUPACN-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide
SMILESCOc1cc2nncc(-n3nc(C(=O)NC4CC4)c4ccccc43)c2cc1OC
InChIInChI=1S/C21H19N5O3/c1-28-18-9-14-15(10-19(18)29-2)24-22-11-17(14)26-16-6-4-3-5-13(16)20(25-26)21(27)23-12-7-8-12/h3-6,9-12H,7-8H2,1-2H3,(H,23,27)
InChIKeyNTZQGTVYBJSUEU-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.88
Rot. Bonds5

About N-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide

N-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide (PubChem CID 24748322) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide
PubChem CID24748322
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide
SMILESCOc1cc2nncc(-n3nc(C(=O)NC4CC4)c4ccccc43)c2cc1OC
InChIInChI=1S/C21H19N5O3/c1-28-18-9-14-15(10-19(18)29-2)24-22-11-17(14)26-16-6-4-3-5-13(16)20(25-26)21(27)23-12-7-8-12/h3-6,9-12H,7-8H2,1-2H3,(H,23,27)
InChIKeyNTZQGTVYBJSUEU-UHFFFAOYSA-N
XLogP2.88
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide (CID 24748322) is N-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide is COc1cc2nncc(-n3nc(C(=O)NC4CC4)c4ccccc43)c2cc1OC.
What is the InChIKey of N-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide?
The InChIKey is NTZQGTVYBJSUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-28-18-9-14-15(10-19(18)29-2)24-22-11-17(14)26-16-6-4-3-5-13(16)20(25-26)21(27)23-12-7-8-12/h3-6,9-12H,7-8H2,1-2H3,(H,23,27).
What are the key properties of N-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide?
N-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(6,7-dimethoxycinnolin-4-yl)indazole-3-carboxamide is sourced from PubChem (CID 24748322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).