N-[3-(2,3-dihydrofuran-5-yl)-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide

C20H15F2N5O2 — CID 155134504

IUPACN-[3-(2,3-dihydrofuran-5-yl)-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
SMILESCn1ncc2c(F)c(C(=O)Nc3ccc4[nH]nc(C5=CCCO5)c4c3)c(F)cc21
InChIInChI=1S/C20H15F2N5O2/c1-27-15-8-13(21)17(18(22)12(15)9-23-27)20(28)24-10-4-5-14-11(7-10)19(26-25-14)16-3-2-6-29-16/h3-5,7-9H,2,6H2,1H3,(H,24,28)(H,25,26)
InChIKeyRMBHLLIIXPDZII-UHFFFAOYSA-N
MW395.37 g/mol
LogP3.74
Rot. Bonds3

About N-[3-(2,3-dihydrofuran-5-yl)-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide

N-[3-(2,3-dihydrofuran-5-yl)-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide (PubChem CID 155134504) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is N-[3-(2,3-dihydrofuran-5-yl)-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydrofuran-5-yl)-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
PubChem CID155134504
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC NameN-[3-(2,3-dihydrofuran-5-yl)-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
SMILESCn1ncc2c(F)c(C(=O)Nc3ccc4[nH]nc(C5=CCCO5)c4c3)c(F)cc21
InChIInChI=1S/C20H15F2N5O2/c1-27-15-8-13(21)17(18(22)12(15)9-23-27)20(28)24-10-4-5-14-11(7-10)19(26-25-14)16-3-2-6-29-16/h3-5,7-9H,2,6H2,1H3,(H,24,28)(H,25,26)
InChIKeyRMBHLLIIXPDZII-UHFFFAOYSA-N
XLogP3.74
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydrofuran-5-yl)-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide?
The IUPAC name of N-[3-(2,3-dihydrofuran-5-yl)-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide (CID 155134504) is N-[3-(2,3-dihydrofuran-5-yl)-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydrofuran-5-yl)-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydrofuran-5-yl)-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide is Cn1ncc2c(F)c(C(=O)Nc3ccc4[nH]nc(C5=CCCO5)c4c3)c(F)cc21.
What is the InChIKey of N-[3-(2,3-dihydrofuran-5-yl)-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide?
The InChIKey is RMBHLLIIXPDZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c1-27-15-8-13(21)17(18(22)12(15)9-23-27)20(28)24-10-4-5-14-11(7-10)19(26-25-14)16-3-2-6-29-16/h3-5,7-9H,2,6H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[3-(2,3-dihydrofuran-5-yl)-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide?
N-[3-(2,3-dihydrofuran-5-yl)-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide has a molecular weight of 395.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydrofuran-5-yl)-1H-indazol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide is sourced from PubChem (CID 155134504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).