5-(2,3-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide

C20H20F2N4O — CID 118381165

IUPAC5-(2,3-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide
SMILESO=C(NCCN1CCCC1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12
InChIInChI=1S/C20H20F2N4O/c21-16-5-3-4-14(18(16)22)13-6-7-17-15(12-13)19(25-24-17)20(27)23-8-11-26-9-1-2-10-26/h3-7,12H,1-2,8-11H2,(H,23,27)(H,24,25)
InChIKeyJMCQNZMEZQNEPP-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.33
Rot. Bonds5

About 5-(2,3-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide

5-(2,3-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide (PubChem CID 118381165) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide
PubChem CID118381165
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name5-(2,3-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide
SMILESO=C(NCCN1CCCC1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12
InChIInChI=1S/C20H20F2N4O/c21-16-5-3-4-14(18(16)22)13-6-7-17-15(12-13)19(25-24-17)20(27)23-8-11-26-9-1-2-10-26/h3-7,12H,1-2,8-11H2,(H,23,27)(H,24,25)
InChIKeyJMCQNZMEZQNEPP-UHFFFAOYSA-N
XLogP3.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide (CID 118381165) is 5-(2,3-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide is O=C(NCCN1CCCC1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12.
What is the InChIKey of 5-(2,3-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide?
The InChIKey is JMCQNZMEZQNEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c21-16-5-3-4-14(18(16)22)13-6-7-17-15(12-13)19(25-24-17)20(27)23-8-11-26-9-1-2-10-26/h3-7,12H,1-2,8-11H2,(H,23,27)(H,24,25).
What are the key properties of 5-(2,3-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide?
5-(2,3-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).