tert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate

C12H15BrN4O2 — CID 142603811

IUPACtert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc2n[nH]c(Br)c2cn1
InChIInChI=1S/C12H15BrN4O2/c1-12(2,3)19-11(18)17(4)9-5-8-7(6-14-9)10(13)16-15-8/h5-6H,1-4H3,(H,15,16)
InChIKeyCYHTWQCKLHKBPC-UHFFFAOYSA-N
MW327.18 g/mol
LogP3.09
Rot. Bonds1

About tert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate

tert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate (PubChem CID 142603811) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is tert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate
PubChem CID142603811
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Nametert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1cc2n[nH]c(Br)c2cn1
InChIInChI=1S/C12H15BrN4O2/c1-12(2,3)19-11(18)17(4)9-5-8-7(6-14-9)10(13)16-15-8/h5-6H,1-4H3,(H,15,16)
InChIKeyCYHTWQCKLHKBPC-UHFFFAOYSA-N
XLogP3.09
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-(1H-pyrrolo[3,2-c]pyridin-6-yl)carbamate
CID 118988175
tert-butyl N-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-yl)carbamate
CID 76849185
tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate
CID 91066797
tert-butyl N-(2-bromopyrimidin-5-yl)-N-methylcarbamate
CID 89243683
tert-butyl N-(5-bromo-4-cyano-1H-pyrazol-3-yl)-N-methylcarbamate
CID 168927877
tert-butyl N-(4-acetyl-2-pyridinyl)-N-methylcarbamate
CID 70946479
tert-butyl N-(5-chloro-4-prop-2-enyl-2-pyridinyl)-N-methylcarbamate
CID 176622810
tert-butyl N-(5-acetylpyrimidin-2-yl)-N-methylcarbamate
CID 140897159
2-(3-bromo-2H-indazol-6-yl)-2-methylpropanoic acid
CID 84730664
tert-butyl N-methyl-N-[4-(methylaminooxymethyl)-2-pyridinyl]carbamate
CID 143799585
tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate
CID 145198356
tert-butyl N-(3,5-dibromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 73213746

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate (CID 142603811) is tert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1cc2n[nH]c(Br)c2cn1.
What is the InChIKey of tert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate?
The InChIKey is CYHTWQCKLHKBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-12(2,3)19-11(18)17(4)9-5-8-7(6-14-9)10(13)16-15-8/h5-6H,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate?
tert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate has a molecular weight of 327.18 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-bromo-2H-pyrazolo[4,3-c]pyridin-6-yl)-N-methylcarbamate is sourced from PubChem (CID 142603811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).