5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide

C18H19F2N5O — CID 501338

IUPAC5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide
SMILESCN(C)CCNc1cc(C(=O)Nc2ccc3cn[nH]c3c2)c(F)cc1F
InChIInChI=1S/C18H19F2N5O/c1-25(2)6-5-21-17-8-13(14(19)9-15(17)20)18(26)23-12-4-3-11-10-22-24-16(11)7-12/h3-4,7-10,21H,5-6H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyQQRPFUOGKHOMGD-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.07
Rot. Bonds6

About 5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide

5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide (PubChem CID 501338) has the molecular formula C18H19F2N5O and a molecular weight of 359.38 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide
PubChem CID501338
Molecular FormulaC18H19F2N5O
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC Name5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide
SMILESCN(C)CCNc1cc(C(=O)Nc2ccc3cn[nH]c3c2)c(F)cc1F
InChIInChI=1S/C18H19F2N5O/c1-25(2)6-5-21-17-8-13(14(19)9-15(17)20)18(26)23-12-4-3-11-10-22-24-16(11)7-12/h3-4,7-10,21H,5-6H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyQQRPFUOGKHOMGD-UHFFFAOYSA-N
XLogP3.07
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide (CID 501338) is 5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide is CN(C)CCNc1cc(C(=O)Nc2ccc3cn[nH]c3c2)c(F)cc1F.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide?
The InChIKey is QQRPFUOGKHOMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O/c1-25(2)6-5-21-17-8-13(14(19)9-15(17)20)18(26)23-12-4-3-11-10-22-24-16(11)7-12/h3-4,7-10,21H,5-6H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of 5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide?
5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide has a molecular weight of 359.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide is sourced from PubChem (CID 501338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).