1-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea

C19H20F2N4O — CID 58135524

IUPAC1-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1n[nH]c2cc(-c3ccc(F)c(F)c3)ccc12
InChIInChI=1S/C19H20F2N4O/c1-3-13(4-2)22-19(26)23-18-14-7-5-12(10-17(14)24-25-18)11-6-8-15(20)16(21)9-11/h5-10,13H,3-4H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyVGRKPSCIKZANIY-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.82
Rot. Bonds5

About 1-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea

1-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea (PubChem CID 58135524) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea
PubChem CID58135524
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name1-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1n[nH]c2cc(-c3ccc(F)c(F)c3)ccc12
InChIInChI=1S/C19H20F2N4O/c1-3-13(4-2)22-19(26)23-18-14-7-5-12(10-17(14)24-25-18)11-6-8-15(20)16(21)9-11/h5-10,13H,3-4H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyVGRKPSCIKZANIY-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea?
The IUPAC name of 1-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea (CID 58135524) is 1-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea.
What is the SMILES notation for 1-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea?
The canonical SMILES for 1-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea is CCC(CC)NC(=O)Nc1n[nH]c2cc(-c3ccc(F)c(F)c3)ccc12.
What is the InChIKey of 1-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea?
The InChIKey is VGRKPSCIKZANIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O/c1-3-13(4-2)22-19(26)23-18-14-7-5-12(10-17(14)24-25-18)11-6-8-15(20)16(21)9-11/h5-10,13H,3-4H2,1-2H3,(H3,22,23,24,25,26).
What are the key properties of 1-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea?
1-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea has a molecular weight of 358.39 g/mol, XLogP of 4.82, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]-3-pentan-3-ylurea is sourced from PubChem (CID 58135524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).