tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate

C18H19BrN4O2 — CID 118670603

IUPACtert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate
SMILESCc1cccc(-n2ncc3c(NC(=O)OC(C)(C)C)cc(Br)cc32)n1
InChIInChI=1S/C18H19BrN4O2/c1-11-6-5-7-16(21-11)23-15-9-12(19)8-14(13(15)10-20-23)22-17(24)25-18(2,3)4/h5-10H,1-4H3,(H,22,24)
InChIKeyKIGDBDIWTFHGIZ-UHFFFAOYSA-N
MW403.28 g/mol
LogP4.84
Rot. Bonds2

About tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate

tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate (PubChem CID 118670603) has the molecular formula C18H19BrN4O2 and a molecular weight of 403.28 g/mol. Its IUPAC name is tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate
PubChem CID118670603
Molecular FormulaC18H19BrN4O2
Molecular Weight403.28 g/mol
Exact Mass402.07
IUPAC Nametert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate
SMILESCc1cccc(-n2ncc3c(NC(=O)OC(C)(C)C)cc(Br)cc32)n1
InChIInChI=1S/C18H19BrN4O2/c1-11-6-5-7-16(21-11)23-15-9-12(19)8-14(13(15)10-20-23)22-17(24)25-18(2,3)4/h5-10H,1-4H3,(H,22,24)
InChIKeyKIGDBDIWTFHGIZ-UHFFFAOYSA-N
XLogP4.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate (CID 118670603) is tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate is Cc1cccc(-n2ncc3c(NC(=O)OC(C)(C)C)cc(Br)cc32)n1.
What is the InChIKey of tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate?
The InChIKey is KIGDBDIWTFHGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O2/c1-11-6-5-7-16(21-11)23-15-9-12(19)8-14(13(15)10-20-23)22-17(24)25-18(2,3)4/h5-10H,1-4H3,(H,22,24).
What are the key properties of tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate?
tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate has a molecular weight of 403.28 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate is sourced from PubChem (CID 118670603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).