4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide

C22H15F2N5O — CID 165029629

IUPAC4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide
SMILESCn1ncc2c(F)c(C(=O)Nc3ccc4c(c3)C(c3cccnc3)=NC4)c(F)cc21
InChIInChI=1S/C22H15F2N5O/c1-29-18-8-17(23)19(20(24)16(18)11-27-29)22(30)28-14-5-4-12-10-26-21(15(12)7-14)13-3-2-6-25-9-13/h2-9,11H,10H2,1H3,(H,28,30)
InChIKeyMLBGZCUQXUBFHA-UHFFFAOYSA-N
MW403.39 g/mol
LogP3.85
Rot. Bonds3

About 4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide

4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide (PubChem CID 165029629) has the molecular formula C22H15F2N5O and a molecular weight of 403.39 g/mol. Its IUPAC name is 4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide.

Molecular Properties

Compound Name4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide
PubChem CID165029629
Molecular FormulaC22H15F2N5O
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC Name4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide
SMILESCn1ncc2c(F)c(C(=O)Nc3ccc4c(c3)C(c3cccnc3)=NC4)c(F)cc21
InChIInChI=1S/C22H15F2N5O/c1-29-18-8-17(23)19(20(24)16(18)11-27-29)22(30)28-14-5-4-12-10-26-21(15(12)7-14)13-3-2-6-25-9-13/h2-9,11H,10H2,1H3,(H,28,30)
InChIKeyMLBGZCUQXUBFHA-UHFFFAOYSA-N
XLogP3.85
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide?
The IUPAC name of 4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide (CID 165029629) is 4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide.
What is the SMILES notation for 4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide?
The canonical SMILES for 4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide is Cn1ncc2c(F)c(C(=O)Nc3ccc4c(c3)C(c3cccnc3)=NC4)c(F)cc21.
What is the InChIKey of 4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide?
The InChIKey is MLBGZCUQXUBFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O/c1-29-18-8-17(23)19(20(24)16(18)11-27-29)22(30)28-14-5-4-12-10-26-21(15(12)7-14)13-3-2-6-25-9-13/h2-9,11H,10H2,1H3,(H,28,30).
What are the key properties of 4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide?
4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide is sourced from PubChem (CID 165029629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).