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

C24H20F2N6O — CID 155134830

IUPACN-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
SMILESCN(C)c1ccc(-c2n[nH]c3ccc(NC(=O)c4c(F)cc5c(cnn5C)c4F)cc23)cc1
InChIInChI=1S/C24H20F2N6O/c1-31(2)15-7-4-13(5-8-15)23-16-10-14(6-9-19(16)29-30-23)28-24(33)21-18(25)11-20-17(22(21)26)12-27-32(20)3/h4-12H,1-3H3,(H,28,33)(H,29,30)
InChIKeyDCEOAWAZDZRBJY-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.71
Rot. Bonds4

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

N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide (PubChem CID 155134830) has the molecular formula C24H20F2N6O and a molecular weight of 446.46 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
PubChem CID155134830
Molecular FormulaC24H20F2N6O
Molecular Weight446.46 g/mol
Exact Mass446.17
IUPAC NameN-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
SMILESCN(C)c1ccc(-c2n[nH]c3ccc(NC(=O)c4c(F)cc5c(cnn5C)c4F)cc23)cc1
InChIInChI=1S/C24H20F2N6O/c1-31(2)15-7-4-13(5-8-15)23-16-10-14(6-9-19(16)29-30-23)28-24(33)21-18(25)11-20-17(22(21)26)12-27-32(20)3/h4-12H,1-3H3,(H,28,33)(H,29,30)
InChIKeyDCEOAWAZDZRBJY-UHFFFAOYSA-N
XLogP4.71
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
CID 155134203
4,6-difluoro-N-[3-(3-methoxyphenyl)-1H-indazol-5-yl]-1-methylindazole-5-carboxamide
CID 155134820
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-N-(6-fluoro-3-phenyl-1H-indazol-5-yl)-1-methylindazole-5-carboxamide
CID 155128970
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]pyridine-4-carboxamide
CID 22479938
4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide
CID 165029629
4,6-difluoro-1-methyl-N-[3-(1,2-oxazol-5-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
CID 164975000
4,6-difluoro-N-[3-(2-fluorophenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
CID 164950841
4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
CID 164949063
4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
CID 165109745
1,4-dimethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyrazolo[3,4-c]pyridine-5-carboxamide
CID 155129008

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide (CID 155134830) is N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide is CN(C)c1ccc(-c2n[nH]c3ccc(NC(=O)c4c(F)cc5c(cnn5C)c4F)cc23)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide?
The InChIKey is DCEOAWAZDZRBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O/c1-31(2)15-7-4-13(5-8-15)23-16-10-14(6-9-19(16)29-30-23)28-24(33)21-18(25)11-20-17(22(21)26)12-27-32(20)3/h4-12H,1-3H3,(H,28,33)(H,29,30).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide?
N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide is sourced from PubChem (CID 155134830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).