tert-butyl N-[6-chloro-4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]carbamate

C18H18ClFN4O3 — CID 171537179

IUPACtert-butyl N-[6-chloro-4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]carbamate
SMILESCn1ncc2c(F)cc(Oc3cc(Cl)nc(NC(=O)OC(C)(C)C)c3)cc21
InChIInChI=1S/C18H18ClFN4O3/c1-18(2,3)27-17(25)23-16-8-11(7-15(19)22-16)26-10-5-13(20)12-9-21-24(4)14(12)6-10/h5-9H,1-4H3,(H,22,23,25)
InChIKeyQYOMWIJCSQOWRO-UHFFFAOYSA-N
MW392.82 g/mol
LogP4.90
Rot. Bonds3

About tert-butyl N-[6-chloro-4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]carbamate

tert-butyl N-[6-chloro-4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]carbamate (PubChem CID 171537179) has the molecular formula C18H18ClFN4O3 and a molecular weight of 392.82 g/mol. Its IUPAC name is tert-butyl N-[6-chloro-4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-chloro-4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]carbamate
PubChem CID171537179
Molecular FormulaC18H18ClFN4O3
Molecular Weight392.82 g/mol
Exact Mass392.11
IUPAC Nametert-butyl N-[6-chloro-4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]carbamate
SMILESCn1ncc2c(F)cc(Oc3cc(Cl)nc(NC(=O)OC(C)(C)C)c3)cc21
InChIInChI=1S/C18H18ClFN4O3/c1-18(2,3)27-17(25)23-16-8-11(7-15(19)22-16)26-10-5-13(20)12-9-21-24(4)14(12)6-10/h5-9H,1-4H3,(H,22,23,25)
InChIKeyQYOMWIJCSQOWRO-UHFFFAOYSA-N
XLogP4.90
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate
CID 144985934
tert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate
CID 171597790
methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
CID 146241727
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913
tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate
CID 162753187
tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate
CID 67813213
tert-butyl N-(4-formyl-6-methoxy-2-pyridinyl)carbamate
CID 18506791
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(5-amino-1-methylpyrazol-3-yl)carbamate
CID 146680472
tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate
CID 142536295

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-chloro-4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-chloro-4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]carbamate (CID 171537179) is tert-butyl N-[6-chloro-4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-chloro-4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-chloro-4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]carbamate is Cn1ncc2c(F)cc(Oc3cc(Cl)nc(NC(=O)OC(C)(C)C)c3)cc21.
What is the InChIKey of tert-butyl N-[6-chloro-4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]carbamate?
The InChIKey is QYOMWIJCSQOWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O3/c1-18(2,3)27-17(25)23-16-8-11(7-15(19)22-16)26-10-5-13(20)12-9-21-24(4)14(12)6-10/h5-9H,1-4H3,(H,22,23,25).
What are the key properties of tert-butyl N-[6-chloro-4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]carbamate?
tert-butyl N-[6-chloro-4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]carbamate has a molecular weight of 392.82 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-chloro-4-(4-fluoro-1-methylindazol-6-yl)oxy-2-pyridinyl]carbamate is sourced from PubChem (CID 171537179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).