1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea

C21H15F2N5O — CID 175206038

IUPAC1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea
SMILESO=C(Nc1cc(F)cc(F)c1)Nc1ccc2n[nH]c(C=Cc3ccccn3)c2c1
InChIInChI=1S/C21H15F2N5O/c22-13-9-14(23)11-17(10-13)26-21(29)25-16-5-7-20-18(12-16)19(27-28-20)6-4-15-3-1-2-8-24-15/h1-12H,(H,27,28)(H2,25,26,29)
InChIKeyUDBQYLNWZFQDKD-UHFFFAOYSA-N
MW391.38 g/mol
LogP5.05
Rot. Bonds4

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

1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea (PubChem CID 175206038) has the molecular formula C21H15F2N5O and a molecular weight of 391.38 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea
PubChem CID175206038
Molecular FormulaC21H15F2N5O
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC Name1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea
SMILESO=C(Nc1cc(F)cc(F)c1)Nc1ccc2n[nH]c(C=Cc3ccccn3)c2c1
InChIInChI=1S/C21H15F2N5O/c22-13-9-14(23)11-17(10-13)26-21(29)25-16-5-7-20-18(12-16)19(27-28-20)6-4-15-3-1-2-8-24-15/h1-12H,(H,27,28)(H2,25,26,29)
InChIKeyUDBQYLNWZFQDKD-UHFFFAOYSA-N
XLogP5.05
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.38
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,5-difluorophenyl)methyl]-3-(2-pyridin-2-ylethenyl)-2H-indazole
CID 175367489
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-pyridin-2-ylethenyl)-2H-indazol-5-amine
CID 175202526
5-fluoro-N-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]pyridine-3-sulfonamide
CID 175198315
3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline
CID 156734142
3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole
CID 175206002
1-pyridin-3-yl-3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]urea
CID 54765950
5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
CID 156734155
7-fluoro-3-(2-pyridin-2-ylethenyl)-2H-indazol-5-amine
CID 68932337
1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea
CID 76850570
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
3-fluoro-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4824000
1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea
CID 59023753

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea (CID 175206038) is 1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea is O=C(Nc1cc(F)cc(F)c1)Nc1ccc2n[nH]c(C=Cc3ccccn3)c2c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea?
The InChIKey is UDBQYLNWZFQDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O/c22-13-9-14(23)11-17(10-13)26-21(29)25-16-5-7-20-18(12-16)19(27-28-20)6-4-15-3-1-2-8-24-15/h1-12H,(H,27,28)(H2,25,26,29).
What are the key properties of 1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea?
1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea has a molecular weight of 391.38 g/mol, XLogP of 5.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea is sourced from PubChem (CID 175206038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).