1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide

C23H16F3N7O2 — CID 24956299

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2nn[nH]n2)cc1)c1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12
InChIInChI=1S/C23H16F3N7O2/c24-15-5-10-19-18(11-15)20(30-33(19)12-13-1-8-17(9-2-13)35-23(25)26)22(34)27-16-6-3-14(4-7-16)21-28-31-32-29-21/h1-11,23H,12H2,(H,27,34)(H,28,29,31,32)
InChIKeyZPBDOQSMFPXRFB-UHFFFAOYSA-N
MW479.42 g/mol
LogP4.26
Rot. Bonds7

About 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide

1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide (PubChem CID 24956299) has the molecular formula C23H16F3N7O2 and a molecular weight of 479.42 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide
PubChem CID24956299
Molecular FormulaC23H16F3N7O2
Molecular Weight479.42 g/mol
Exact Mass479.13
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2nn[nH]n2)cc1)c1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12
InChIInChI=1S/C23H16F3N7O2/c24-15-5-10-19-18(11-15)20(30-33(19)12-13-1-8-17(9-2-13)35-23(25)26)22(34)27-16-6-3-14(4-7-16)21-28-31-32-29-21/h1-11,23H,12H2,(H,27,34)(H,28,29,31,32)
InChIKeyZPBDOQSMFPXRFB-UHFFFAOYSA-N
XLogP4.26
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.42
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide (CID 24956299) is 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide is O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide?
The InChIKey is ZPBDOQSMFPXRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N7O2/c24-15-5-10-19-18(11-15)20(30-33(19)12-13-1-8-17(9-2-13)35-23(25)26)22(34)27-16-6-3-14(4-7-16)21-28-31-32-29-21/h1-11,23H,12H2,(H,27,34)(H,28,29,31,32).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide?
1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide has a molecular weight of 479.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide is sourced from PubChem (CID 24956299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).