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

C20H13F4N7O — CID 155134203

IUPACN-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
SMILESCn1ncc2c(F)c(C(=O)Nc3ccc4[nH]nc(-c5cnn(C(F)F)c5)c4c3)c(F)cc21
InChIInChI=1S/C20H13F4N7O/c1-30-15-5-13(21)16(17(22)12(15)7-25-30)19(32)27-10-2-3-14-11(4-10)18(29-28-14)9-6-26-31(8-9)20(23)24/h2-8,20H,1H3,(H,27,32)(H,28,29)
InChIKeyVAPJEYWFEAIWBG-UHFFFAOYSA-N
MW443.36 g/mol
LogP4.24
Rot. Bonds4

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

N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide (PubChem CID 155134203) has the molecular formula C20H13F4N7O and a molecular weight of 443.36 g/mol. Its IUPAC name is N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
PubChem CID155134203
Molecular FormulaC20H13F4N7O
Molecular Weight443.36 g/mol
Exact Mass443.11
IUPAC NameN-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
SMILESCn1ncc2c(F)c(C(=O)Nc3ccc4[nH]nc(-c5cnn(C(F)F)c5)c4c3)c(F)cc21
InChIInChI=1S/C20H13F4N7O/c1-30-15-5-13(21)16(17(22)12(15)7-25-30)19(32)27-10-2-3-14-11(4-10)18(29-28-14)9-6-26-31(8-9)20(23)24/h2-8,20H,1H3,(H,27,32)(H,28,29)
InChIKeyVAPJEYWFEAIWBG-UHFFFAOYSA-N
XLogP4.24
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.36
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
CID 155134830
4,6-difluoro-1-methyl-N-(3-pyridin-2-yl-1H-indazol-5-yl)indazole-5-carboxamide
CID 155128869
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
5-bromo-3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazole
CID 168728035
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
1,4-dimethyl-N-[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]pyrazolo[3,4-c]pyridine-5-carboxamide
CID 155129008
N-[3-(1,3-dimethylpyrazol-4-yl)-1H-isoindol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
CID 165084481
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]pyridine-4-carboxamide
CID 22479938

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide?
The IUPAC name of N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide (CID 155134203) is N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide.
What is the SMILES notation for N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide?
The canonical SMILES for N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide is Cn1ncc2c(F)c(C(=O)Nc3ccc4[nH]nc(-c5cnn(C(F)F)c5)c4c3)c(F)cc21.
What is the InChIKey of N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide?
The InChIKey is VAPJEYWFEAIWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N7O/c1-30-15-5-13(21)16(17(22)12(15)7-25-30)19(32)27-10-2-3-14-11(4-10)18(29-28-14)9-6-26-31(8-9)20(23)24/h2-8,20H,1H3,(H,27,32)(H,28,29).
What are the key properties of N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide?
N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide has a molecular weight of 443.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(difluoromethyl)pyrazol-4-yl]-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide is sourced from PubChem (CID 155134203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).