5-[2,3-difluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-N-propan-2-yl-1H-indazole-3-carboxamide

C22H24F2N4O — CID 118381918

IUPAC5-[2,3-difluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-N-propan-2-yl-1H-indazole-3-carboxamide
SMILESCC(C)NC(=O)c1n[nH]c2ccc(-c3cc(CN4CCCC4)cc(F)c3F)cc12
InChIInChI=1S/C22H24F2N4O/c1-13(2)25-22(29)21-17-11-15(5-6-19(17)26-27-21)16-9-14(10-18(23)20(16)24)12-28-7-3-4-8-28/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyGBUWQECRVRRSTI-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.24
Rot. Bonds5

About 5-[2,3-difluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-N-propan-2-yl-1H-indazole-3-carboxamide

5-[2,3-difluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-N-propan-2-yl-1H-indazole-3-carboxamide (PubChem CID 118381918) has the molecular formula C22H24F2N4O and a molecular weight of 398.46 g/mol. Its IUPAC name is 5-[2,3-difluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-N-propan-2-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[2,3-difluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-N-propan-2-yl-1H-indazole-3-carboxamide
PubChem CID118381918
Molecular FormulaC22H24F2N4O
Molecular Weight398.46 g/mol
Exact Mass398.19
IUPAC Name5-[2,3-difluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-N-propan-2-yl-1H-indazole-3-carboxamide
SMILESCC(C)NC(=O)c1n[nH]c2ccc(-c3cc(CN4CCCC4)cc(F)c3F)cc12
InChIInChI=1S/C22H24F2N4O/c1-13(2)25-22(29)21-17-11-15(5-6-19(17)26-27-21)16-9-14(10-18(23)20(16)24)12-28-7-3-4-8-28/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyGBUWQECRVRRSTI-UHFFFAOYSA-N
XLogP4.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2,3-difluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-N-propan-2-yl-1H-indazole-3-carboxamide?
The IUPAC name of 5-[2,3-difluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-N-propan-2-yl-1H-indazole-3-carboxamide (CID 118381918) is 5-[2,3-difluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-N-propan-2-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[2,3-difluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-N-propan-2-yl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[2,3-difluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-N-propan-2-yl-1H-indazole-3-carboxamide is CC(C)NC(=O)c1n[nH]c2ccc(-c3cc(CN4CCCC4)cc(F)c3F)cc12.
What is the InChIKey of 5-[2,3-difluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-N-propan-2-yl-1H-indazole-3-carboxamide?
The InChIKey is GBUWQECRVRRSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O/c1-13(2)25-22(29)21-17-11-15(5-6-19(17)26-27-21)16-9-14(10-18(23)20(16)24)12-28-7-3-4-8-28/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 5-[2,3-difluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-N-propan-2-yl-1H-indazole-3-carboxamide?
5-[2,3-difluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-N-propan-2-yl-1H-indazole-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-difluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-N-propan-2-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).