1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea

C19H20F2N4O — CID 58135471

IUPAC1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea
SMILESCCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cc(F)ccc3F)ccc12
InChIInChI=1S/C19H20F2N4O/c1-3-11(2)10-22-19(26)23-18-14-6-4-12(8-17(14)24-25-18)15-9-13(20)5-7-16(15)21/h4-9,11H,3,10H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyVPWKNEMLILLPHK-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.68
Rot. Bonds5

About 1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea

1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea (PubChem CID 58135471) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea.

Molecular Properties

Compound Name1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea
PubChem CID58135471
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea
SMILESCCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cc(F)ccc3F)ccc12
InChIInChI=1S/C19H20F2N4O/c1-3-11(2)10-22-19(26)23-18-14-6-4-12(8-17(14)24-25-18)15-9-13(20)5-7-16(15)21/h4-9,11H,3,10H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyVPWKNEMLILLPHK-UHFFFAOYSA-N
XLogP4.68
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea?
The IUPAC name of 1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea (CID 58135471) is 1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea.
What is the SMILES notation for 1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea?
The canonical SMILES for 1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea is CCC(C)CNC(=O)Nc1n[nH]c2cc(-c3cc(F)ccc3F)ccc12.
What is the InChIKey of 1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea?
The InChIKey is VPWKNEMLILLPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O/c1-3-11(2)10-22-19(26)23-18-14-6-4-12(8-17(14)24-25-18)15-9-13(20)5-7-16(15)21/h4-9,11H,3,10H2,1-2H3,(H3,22,23,24,25,26).
What are the key properties of 1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea?
1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea has a molecular weight of 358.39 g/mol, XLogP of 4.68, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]-3-(2-methylbutyl)urea is sourced from PubChem (CID 58135471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).