tert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate

C19H27BrN4O3 — CID 138715007

IUPACtert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)c1cc2c(cn1)c(Br)nn2C1CCC(O)CC1
InChIInChI=1S/C19H27BrN4O3/c1-5-23(18(26)27-19(2,3)4)16-10-15-14(11-21-16)17(20)22-24(15)12-6-8-13(25)9-7-12/h10-13,25H,5-9H2,1-4H3
InChIKeyKYQQSXPDEQQQME-UHFFFAOYSA-N
MW439.35 g/mol
LogP4.43
Rot. Bonds3

About tert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate

tert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate (PubChem CID 138715007) has the molecular formula C19H27BrN4O3 and a molecular weight of 439.35 g/mol. Its IUPAC name is tert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate
PubChem CID138715007
Molecular FormulaC19H27BrN4O3
Molecular Weight439.35 g/mol
Exact Mass438.13
IUPAC Nametert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)c1cc2c(cn1)c(Br)nn2C1CCC(O)CC1
InChIInChI=1S/C19H27BrN4O3/c1-5-23(18(26)27-19(2,3)4)16-10-15-14(11-21-16)17(20)22-24(15)12-6-8-13(25)9-7-12/h10-13,25H,5-9H2,1-4H3
InChIKeyKYQQSXPDEQQQME-UHFFFAOYSA-N
XLogP4.43
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate with MolForge

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Related Compounds

tert-butyl N-[3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate
CID 138682708
tert-butyl N-ethyl-N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102540798
tert-butyl N-(4-bromo-2-pyridinyl)-N-(cyclopropylmethyl)carbamate
CID 131735467
tert-butyl N-[5-(1-ethylpiperidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540843
tert-butyl N-[5-(1-ethylpyrrolidin-2-yl)-2-pyridinyl]-N-(2-methylpropyl)carbamate
CID 102540766
tert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
CID 130248062
tert-butyl 4-(3-bromoindazol-1-yl)azepane-1-carboxylate
CID 178042915
tert-butyl N-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-N-propylcarbamate
CID 102540827
tert-butyl N-(6-chloro-4-methyl-3-pyridinyl)-N-ethylcarbamate
CID 165411532
tert-butyl (3S)-3-(8-bromo-3-ethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)pyrrolidine-1-carboxylate
CID 144847127
tert-butyl 6-bromo-3-(cyclobutylmethyl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 155195168
tert-butyl 3-(3-bromoindazol-1-yl)piperidine-1-carboxylate;ethane
CID 171544267

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate (CID 138715007) is tert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)c1cc2c(cn1)c(Br)nn2C1CCC(O)CC1.
What is the InChIKey of tert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate?
The InChIKey is KYQQSXPDEQQQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN4O3/c1-5-23(18(26)27-19(2,3)4)16-10-15-14(11-21-16)17(20)22-24(15)12-6-8-13(25)9-7-12/h10-13,25H,5-9H2,1-4H3.
What are the key properties of tert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate?
tert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate has a molecular weight of 439.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-bromo-1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-6-yl]-N-ethylcarbamate is sourced from PubChem (CID 138715007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).