tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine

C26H32N8O4 — CID 157270374

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(-n2cccn2)n1.Nc1cccc(-n2cccn2)n1
InChIInChI=1S/C18H24N4O4.C8H8N4/c1-17(2,3)25-15(23)22(16(24)26-18(4,5)6)14-10-7-9-13(20-14)21-12-8-11-19-21;9-7-3-1-4-8(11-7)12-6-2-5-10-12/h7-12H,1-6H3;1-6H,(H2,9,11)
InChIKeyAYLSQAORHWSZSW-UHFFFAOYSA-N
MW520.59 g/mol
LogP4.79
Rot. Bonds3

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine (PubChem CID 157270374) has the molecular formula C26H32N8O4 and a molecular weight of 520.59 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine
PubChem CID157270374
Molecular FormulaC26H32N8O4
Molecular Weight520.59 g/mol
Exact Mass520.25
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(-n2cccn2)n1.Nc1cccc(-n2cccn2)n1
InChIInChI=1S/C18H24N4O4.C8H8N4/c1-17(2,3)25-15(23)22(16(24)26-18(4,5)6)14-10-7-9-13(20-14)21-12-8-11-19-21;9-7-3-1-4-8(11-7)12-6-2-5-10-12/h7-12H,1-6H3;1-6H,(H2,9,11)
InChIKeyAYLSQAORHWSZSW-UHFFFAOYSA-N
XLogP4.79
TPSA143.28 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.59
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

tert-butyl N-(6-fluoro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 58402559
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 144724019
6-bromo-5-chloropyridin-2-amine;tert-butyl N-(6-bromo-5-chloro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 161472878
cobalt;2,6-di(pyrazol-1-yl)pyridine
CID 175285024
tert-butyl N-(2-bromopyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 142721523
N-(2-amino-2-methylpropyl)-6-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119628163
tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine)
CID 158524727
S-(4-pyrazol-1-ylpyrimidin-2-yl) ethanethioate
CID 90914893
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-prop-1-en-2-ylpyrimidin-4-yl)carbamate
CID 166129397
6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 91793396
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(1,2-oxazol-3-yl)carbamate
CID 143306534
N-propyl-6-pyrazol-1-ylpyridin-2-amine
CID 80853586

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine (CID 157270374) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(-n2cccn2)n1.Nc1cccc(-n2cccn2)n1.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine?
The InChIKey is AYLSQAORHWSZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4.C8H8N4/c1-17(2,3)25-15(23)22(16(24)26-18(4,5)6)14-10-7-9-13(20-14)21-12-8-11-19-21;9-7-3-1-4-8(11-7)12-6-2-5-10-12/h7-12H,1-6H3;1-6H,(H2,9,11).
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine has a molecular weight of 520.59 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(6-pyrazol-1-yl-2-pyridinyl)carbamate;6-pyrazol-1-ylpyridin-2-amine is sourced from PubChem (CID 157270374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).