1-(2,4-difluorophenyl)-3-[4-(dimethylamino)-1-methylindazol-3-yl]urea

C17H17F2N5O — CID 2812686

IUPAC1-(2,4-difluorophenyl)-3-[4-(dimethylamino)-1-methylindazol-3-yl]urea
SMILESCN(C)c1cccc2c1c(NC(=O)Nc1ccc(F)cc1F)nn2C
InChIInChI=1S/C17H17F2N5O/c1-23(2)13-5-4-6-14-15(13)16(22-24(14)3)21-17(25)20-12-8-7-10(18)9-11(12)19/h4-9H,1-3H3,(H2,20,21,22,25)
InChIKeyKWKYFQMJGFPMTR-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.56
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[4-(dimethylamino)-1-methylindazol-3-yl]urea

1-(2,4-difluorophenyl)-3-[4-(dimethylamino)-1-methylindazol-3-yl]urea (PubChem CID 2812686) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[4-(dimethylamino)-1-methylindazol-3-yl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[4-(dimethylamino)-1-methylindazol-3-yl]urea
PubChem CID2812686
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Name1-(2,4-difluorophenyl)-3-[4-(dimethylamino)-1-methylindazol-3-yl]urea
SMILESCN(C)c1cccc2c1c(NC(=O)Nc1ccc(F)cc1F)nn2C
InChIInChI=1S/C17H17F2N5O/c1-23(2)13-5-4-6-14-15(13)16(22-24(14)3)21-17(25)20-12-8-7-10(18)9-11(12)19/h4-9H,1-3H3,(H2,20,21,22,25)
InChIKeyKWKYFQMJGFPMTR-UHFFFAOYSA-N
XLogP3.56
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[4-(dimethylamino)-1-methylindazol-3-yl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[4-(dimethylamino)-1-methylindazol-3-yl]urea (CID 2812686) is 1-(2,4-difluorophenyl)-3-[4-(dimethylamino)-1-methylindazol-3-yl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[4-(dimethylamino)-1-methylindazol-3-yl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[4-(dimethylamino)-1-methylindazol-3-yl]urea is CN(C)c1cccc2c1c(NC(=O)Nc1ccc(F)cc1F)nn2C.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[4-(dimethylamino)-1-methylindazol-3-yl]urea?
The InChIKey is KWKYFQMJGFPMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c1-23(2)13-5-4-6-14-15(13)16(22-24(14)3)21-17(25)20-12-8-7-10(18)9-11(12)19/h4-9H,1-3H3,(H2,20,21,22,25).
What are the key properties of 1-(2,4-difluorophenyl)-3-[4-(dimethylamino)-1-methylindazol-3-yl]urea?
1-(2,4-difluorophenyl)-3-[4-(dimethylamino)-1-methylindazol-3-yl]urea has a molecular weight of 345.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[4-(dimethylamino)-1-methylindazol-3-yl]urea is sourced from PubChem (CID 2812686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).