tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate

C19H24BrN5O3 — CID 155287402

IUPACtert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(-c3ncc(Br)cc3O)nn2)C1
InChIInChI=1S/C19H24BrN5O3/c1-19(2,3)28-18(27)24(4)13-7-8-25(11-13)16-6-5-14(22-23-16)17-15(26)9-12(20)10-21-17/h5-6,9-10,13,26H,7-8,11H2,1-4H3/t13-/m1/s1
InChIKeySHLBYCFQSLZELS-CYBMUJFWSA-N
MW450.34 g/mol
LogP3.45
Rot. Bonds3

About tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate

tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate (PubChem CID 155287402) has the molecular formula C19H24BrN5O3 and a molecular weight of 450.34 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate
PubChem CID155287402
Molecular FormulaC19H24BrN5O3
Molecular Weight450.34 g/mol
Exact Mass449.11
IUPAC Nametert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(-c3ncc(Br)cc3O)nn2)C1
InChIInChI=1S/C19H24BrN5O3/c1-19(2,3)28-18(27)24(4)13-7-8-25(11-13)16-6-5-14(22-23-16)17-15(26)9-12(20)10-21-17/h5-6,9-10,13,26H,7-8,11H2,1-4H3/t13-/m1/s1
InChIKeySHLBYCFQSLZELS-CYBMUJFWSA-N
XLogP3.45
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxylic acid
CID 175506304
tert-butyl N-[(3R)-1-(5-iodo-2-pyridinyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 59704510
tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate
CID 146078134
tert-butyl N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 140914655
tert-butyl N-[(3R)-1-(7-bromo-2-chloropyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 131741485
tert-butyl N-[(3R)-1-(7-bromo-2-hydrazinylpyrido[2,3-b]pyrazin-3-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 131741486
tert-butyl N-[(3R)-1-(12-bromo-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 131741487
tert-butyl N-[(3R)-1-(4-bromo-2,5-difluorophenyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 164518049
tert-butyl N-[1-[5-bromo-3-(methanesulfonamido)-2-pyridinyl]azetidin-3-yl]-N-methylcarbamate
CID 146211819
5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol
CID 155287459
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate
CID 165119706

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate (CID 155287402) is tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(-c3ncc(Br)cc3O)nn2)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate?
The InChIKey is SHLBYCFQSLZELS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24BrN5O3/c1-19(2,3)28-18(27)24(4)13-7-8-25(11-13)16-6-5-14(22-23-16)17-15(26)9-12(20)10-21-17/h5-6,9-10,13,26H,7-8,11H2,1-4H3/t13-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate?
tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate has a molecular weight of 450.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 155287402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).