4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide

C22H14F3N5O — CID 155128970

IUPAC4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide
SMILESCn1ncc2c(F)c(C(=O)Nc3cc4c(-c5ccccc5)n[nH]c4cc3F)c(F)cc21
InChIInChI=1S/C22H14F3N5O/c1-30-18-9-15(24)19(20(25)13(18)10-26-30)22(31)27-17-7-12-16(8-14(17)23)28-29-21(12)11-5-3-2-4-6-11/h2-10H,1H3,(H,27,31)(H,28,29)
InChIKeyORAUWYWZJPQRPO-UHFFFAOYSA-N
MW421.38 g/mol
LogP4.79
Rot. Bonds3

About 4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide

4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide (PubChem CID 155128970) has the molecular formula C22H14F3N5O and a molecular weight of 421.38 g/mol. Its IUPAC name is 4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide.

Molecular Properties

Compound Name4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide
PubChem CID155128970
Molecular FormulaC22H14F3N5O
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC Name4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide
SMILESCn1ncc2c(F)c(C(=O)Nc3cc4c(-c5ccccc5)n[nH]c4cc3F)c(F)cc21
InChIInChI=1S/C22H14F3N5O/c1-30-18-9-15(24)19(20(25)13(18)10-26-30)22(31)27-17-7-12-16(8-14(17)23)28-29-21(12)11-5-3-2-4-6-11/h2-10H,1H3,(H,27,31)(H,28,29)
InChIKeyORAUWYWZJPQRPO-UHFFFAOYSA-N
XLogP4.79
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide
CID 155128869
N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
CID 155134830
4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide
CID 155134820
N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
CID 155134203
4,6-difluoro-1-methyl-N-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)-1H-indazol-5-yl]indazole-5-carboxamide
CID 159626367
4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide
CID 165029629
4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
CID 164949063
2-fluoro-N-(3-phenyl-1H-indazol-6-yl)benzamide
CID 117073871
4,6-difluoro-1-methyl-N-[3-(1,2-oxazol-5-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
CID 164975000
3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide
CID 22260857
4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
CID 165109745
N-[3-(1,3-dimethylpyrazol-4-yl)-1H-isoindol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
CID 165084481

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide?
The IUPAC name of 4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide (CID 155128970) is 4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide.
What is the SMILES notation for 4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide?
The canonical SMILES for 4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide is Cn1ncc2c(F)c(C(=O)Nc3cc4c(-c5ccccc5)n[nH]c4cc3F)c(F)cc21.
What is the InChIKey of 4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide?
The InChIKey is ORAUWYWZJPQRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O/c1-30-18-9-15(24)19(20(25)13(18)10-26-30)22(31)27-17-7-12-16(8-14(17)23)28-29-21(12)11-5-3-2-4-6-11/h2-10H,1H3,(H,27,31)(H,28,29).
What are the key properties of 4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide?
4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide has a molecular weight of 421.38 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide is sourced from PubChem (CID 155128970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).