2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide

C20H21F2N5O2 — CID 501333

IUPAC2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1cc(NCCN2CCOCC2)c(F)cc1F
InChIInChI=1S/C20H21F2N5O2/c21-16-11-17(22)19(23-3-4-27-5-7-29-8-6-27)10-15(16)20(28)25-14-1-2-18-13(9-14)12-24-26-18/h1-2,9-12,23H,3-8H2,(H,24,26)(H,25,28)
InChIKeyFJQYPBNYEDJXHC-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.84
Rot. Bonds6

About 2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide

2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide (PubChem CID 501333) has the molecular formula C20H21F2N5O2 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide
PubChem CID501333
Molecular FormulaC20H21F2N5O2
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Name2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1cc(NCCN2CCOCC2)c(F)cc1F
InChIInChI=1S/C20H21F2N5O2/c21-16-11-17(22)19(23-3-4-27-5-7-29-8-6-27)10-15(16)20(28)25-14-1-2-18-13(9-14)12-24-26-18/h1-2,9-12,23H,3-8H2,(H,24,26)(H,25,28)
InChIKeyFJQYPBNYEDJXHC-UHFFFAOYSA-N
XLogP2.84
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide?
The IUPAC name of 2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide (CID 501333) is 2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide?
The canonical SMILES for 2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide is O=C(Nc1ccc2[nH]ncc2c1)c1cc(NCCN2CCOCC2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide?
The InChIKey is FJQYPBNYEDJXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O2/c21-16-11-17(22)19(23-3-4-27-5-7-29-8-6-27)10-15(16)20(28)25-14-1-2-18-13(9-14)12-24-26-18/h1-2,9-12,23H,3-8H2,(H,24,26)(H,25,28).
What are the key properties of 2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide?
2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide has a molecular weight of 401.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-morpholin-4-ylethylamino)benzamide is sourced from PubChem (CID 501333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).