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2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide

C21H20F2N4O — CID 90614470

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1ccc(F)cc1F
InChIInChI=1S/C21H20F2N4O/c22-14-8-9-15(17(23)13-14)21(28)25-11-12-27-19-7-2-1-5-16(19)20(26-27)18-6-3-4-10-24-18/h3-4,6,8-10,13H,1-2,5,7,11-12H2,(H,25,28)
InChIKeyRMVPWIHOCADKSV-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.53
Rot. Bonds5

About 2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide

2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide (PubChem CID 90614470) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
PubChem CID90614470
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1ccc(F)cc1F
InChIInChI=1S/C21H20F2N4O/c22-14-8-9-15(17(23)13-14)21(28)25-11-12-27-19-7-2-1-5-16(19)20(26-27)18-6-3-4-10-24-18/h3-4,6,8-10,13H,1-2,5,7,11-12H2,(H,25,28)
InChIKeyRMVPWIHOCADKSV-UHFFFAOYSA-N
XLogP3.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide (CID 90614470) is 2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide is O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
The InChIKey is RMVPWIHOCADKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c22-14-8-9-15(17(23)13-14)21(28)25-11-12-27-19-7-2-1-5-16(19)20(26-27)18-6-3-4-10-24-18/h3-4,6,8-10,13H,1-2,5,7,11-12H2,(H,25,28).
What are the key properties of 2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide?
2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide has a molecular weight of 382.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90614470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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