5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide

C23H21FN4O2 — CID 144928915

IUPAC5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCc1c(F)cccc1-c1ccc2[nH]nc(C(=O)Nc3ccc(OC(C)C)nc3)c2c1
InChIInChI=1S/C23H21FN4O2/c1-13(2)30-21-10-8-16(12-25-21)26-23(29)22-18-11-15(7-9-20(18)27-28-22)17-5-4-6-19(24)14(17)3/h4-13H,1-3H3,(H,26,29)(H,27,28)
InChIKeyPXHJTCCSEGRNQZ-UHFFFAOYSA-N
MW404.45 g/mol
LogP5.11
Rot. Bonds5

About 5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide

5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 144928915) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID144928915
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCc1c(F)cccc1-c1ccc2[nH]nc(C(=O)Nc3ccc(OC(C)C)nc3)c2c1
InChIInChI=1S/C23H21FN4O2/c1-13(2)30-21-10-8-16(12-25-21)26-23(29)22-18-11-15(7-9-20(18)27-28-22)17-5-4-6-19(24)14(17)3/h4-13H,1-3H3,(H,26,29)(H,27,28)
InChIKeyPXHJTCCSEGRNQZ-UHFFFAOYSA-N
XLogP5.11
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.45
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluoro-2-methylphenyl)-N-pyridin-3-yl-1H-indazole-3-carboxamide
CID 123828184
N-(6-propan-2-yloxy-3-pyridinyl)-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 118382344
5-(2,3-difluorophenyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 118382000
5-(2,3-difluorophenyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381811
5-(3-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide
CID 123518046
N-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-5-(2,3-difluorophenyl)-1H-indazole-3-carboxamide
CID 118382069
5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide
CID 118382349
5-(2,3-difluorophenyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 118382138
5-(2,3-difluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382251
N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 89444854
5-(2-fluoro-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 156501595
5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450537

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 144928915) is 5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide is Cc1c(F)cccc1-c1ccc2[nH]nc(C(=O)Nc3ccc(OC(C)C)nc3)c2c1.
What is the InChIKey of 5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is PXHJTCCSEGRNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-13(2)30-21-10-8-16(12-25-21)26-23(29)22-18-11-15(7-9-20(18)27-28-22)17-5-4-6-19(24)14(17)3/h4-13H,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide?
5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-methylphenyl)-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 144928915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).