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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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).