[4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate

C18H18F2N4O2 — CID 152507716

IUPAC[4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate
SMILESCC(C)(C)c1c(-c2ccc3c(N)n[nH]c3c2F)ccc(OC(N)=O)c1F
InChIInChI=1S/C18H18F2N4O2/c1-18(2,3)12-8(6-7-11(14(12)20)26-17(22)25)9-4-5-10-15(13(9)19)23-24-16(10)21/h4-7H,1-3H3,(H2,22,25)(H3,21,23,24)
InChIKeyYEVCOHQYODOBPQ-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.85
Rot. Bonds2

About [4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate

[4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate (PubChem CID 152507716) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is [4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate.

Molecular Properties

Compound Name[4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate
PubChem CID152507716
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name[4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate
SMILESCC(C)(C)c1c(-c2ccc3c(N)n[nH]c3c2F)ccc(OC(N)=O)c1F
InChIInChI=1S/C18H18F2N4O2/c1-18(2,3)12-8(6-7-11(14(12)20)26-17(22)25)9-4-5-10-15(13(9)19)23-24-16(10)21/h4-7H,1-3H3,(H2,22,25)(H3,21,23,24)
InChIKeyYEVCOHQYODOBPQ-UHFFFAOYSA-N
XLogP3.85
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate?
The IUPAC name of [4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate (CID 152507716) is [4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate.
What is the SMILES notation for [4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate?
The canonical SMILES for [4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate is CC(C)(C)c1c(-c2ccc3c(N)n[nH]c3c2F)ccc(OC(N)=O)c1F.
What is the InChIKey of [4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate?
The InChIKey is YEVCOHQYODOBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-18(2,3)12-8(6-7-11(14(12)20)26-17(22)25)9-4-5-10-15(13(9)19)23-24-16(10)21/h4-7H,1-3H3,(H2,22,25)(H3,21,23,24).
What are the key properties of [4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate?
[4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate has a molecular weight of 360.36 g/mol, XLogP of 3.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate is sourced from PubChem (CID 152507716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).