4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide

C21H16ClFN6O — CID 44540060

IUPAC4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2n[nH]c(F)c12
InChIInChI=1S/C21H16ClFN6O/c1-2-29-19(14(22)10-25-29)21(30)26-16-8-11(9-17-18(16)20(23)28-27-17)12-4-3-5-15-13(12)6-7-24-15/h3-10,24H,2H2,1H3,(H,26,30)(H,27,28)
InChIKeyHTLKDQYKSZKUAC-UHFFFAOYSA-N
MW422.85 g/mol
LogP4.97
Rot. Bonds4

About 4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide

4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide (PubChem CID 44540060) has the molecular formula C21H16ClFN6O and a molecular weight of 422.85 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide
PubChem CID44540060
Molecular FormulaC21H16ClFN6O
Molecular Weight422.85 g/mol
Exact Mass422.11
IUPAC Name4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2n[nH]c(F)c12
InChIInChI=1S/C21H16ClFN6O/c1-2-29-19(14(22)10-25-29)21(30)26-16-8-11(9-17-18(16)20(23)28-27-17)12-4-3-5-15-13(12)6-7-24-15/h3-10,24H,2H2,1H3,(H,26,30)(H,27,28)
InChIKeyHTLKDQYKSZKUAC-UHFFFAOYSA-N
XLogP4.97
TPSA91.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.85
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide (CID 44540060) is 4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2n[nH]c(F)c12.
What is the InChIKey of 4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide?
The InChIKey is HTLKDQYKSZKUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN6O/c1-2-29-19(14(22)10-25-29)21(30)26-16-8-11(9-17-18(16)20(23)28-27-17)12-4-3-5-15-13(12)6-7-24-15/h3-10,24H,2H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide?
4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide has a molecular weight of 422.85 g/mol, XLogP of 4.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[3-fluoro-6-(1H-indol-4-yl)-2H-indazol-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 44540060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).