N-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

C22H24F2N4O3 — CID 18765398

IUPACN-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cc(F)ccc3F)nn(CCN3CCOCC3)c12
InChIInChI=1S/C22H24F2N4O3/c1-30-19-4-2-3-17-20(22(29)25-14-15-13-16(23)5-6-18(15)24)26-28(21(17)19)8-7-27-9-11-31-12-10-27/h2-6,13H,7-12,14H2,1H3,(H,25,29)
InChIKeyITUFRYLUJHOGPE-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.59
Rot. Bonds7

About N-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

N-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (PubChem CID 18765398) has the molecular formula C22H24F2N4O3 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
PubChem CID18765398
Molecular FormulaC22H24F2N4O3
Molecular Weight430.46 g/mol
Exact Mass430.18
IUPAC NameN-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cc(F)ccc3F)nn(CCN3CCOCC3)c12
InChIInChI=1S/C22H24F2N4O3/c1-30-19-4-2-3-17-20(22(29)25-14-15-13-16(23)5-6-18(15)24)26-28(21(17)19)8-7-27-9-11-31-12-10-27/h2-6,13H,7-12,14H2,1H3,(H,25,29)
InChIKeyITUFRYLUJHOGPE-UHFFFAOYSA-N
XLogP2.59
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-hydroxy-1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 46233635
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-7-phenylmethoxyindazole-3-carboxamide
CID 46233637
1H-indazol-3-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2572779
N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9867783
7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3-carboxylic acid 2-methoxy-benzylamide
CID 10159384
7-Methoxy-1-[2-(4-morpholinyl)ethyl]-N-(phenyl-2-pyridinylmethyl)-1H-indazole-3-carboxamide
CID 10906799
7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3-carboxylic acid (2-chloro-6-fluoro-benzyl)-isopropyl-amide
CID 11049238
5-methoxy-N-{[1-(2-methoxyethyl)-piperidin-4-yl]methyl}-1H-indazole-3-carboxamide
CID 71714627
5-methoxy-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 89777807
N-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1H-indazole-3-carboxamide
CID 89777931
5-[3-(difluoromethoxy)phenyl]-2-ethyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087925
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide
CID 10928335

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (CID 18765398) is N-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is COc1cccc2c(C(=O)NCc3cc(F)ccc3F)nn(CCN3CCOCC3)c12.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The InChIKey is ITUFRYLUJHOGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3/c1-30-19-4-2-3-17-20(22(29)25-14-15-13-16(23)5-6-18(15)24)26-28(21(17)19)8-7-27-9-11-31-12-10-27/h2-6,13H,7-12,14H2,1H3,(H,25,29).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
N-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is sourced from PubChem (CID 18765398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).