N-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine

C25H39N5 — CID 137409202

IUPACN-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine
SMILESCCC(C)(Nc1ccc(-c2cn(C)nc2C)cn1)C1(C(C)(C)C)CC12CCNCC2
InChIInChI=1S/C25H39N5/c1-8-23(6,25(22(3,4)5)17-24(25)11-13-26-14-12-24)28-21-10-9-19(15-27-21)20-16-30(7)29-18(20)2/h9-10,15-16,26H,8,11-14,17H2,1-7H3,(H,27,28)
InChIKeyRTUFKTCWRSEZDB-UHFFFAOYSA-N
MW409.62 g/mol
LogP5.18
Rot. Bonds5

About N-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine

N-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine (PubChem CID 137409202) has the molecular formula C25H39N5 and a molecular weight of 409.62 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine
PubChem CID137409202
Molecular FormulaC25H39N5
Molecular Weight409.62 g/mol
Exact Mass409.32
IUPAC NameN-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine
SMILESCCC(C)(Nc1ccc(-c2cn(C)nc2C)cn1)C1(C(C)(C)C)CC12CCNCC2
InChIInChI=1S/C25H39N5/c1-8-23(6,25(22(3,4)5)17-24(25)11-13-26-14-12-24)28-21-10-9-19(15-27-21)20-16-30(7)29-18(20)2/h9-10,15-16,26H,8,11-14,17H2,1-7H3,(H,27,28)
InChIKeyRTUFKTCWRSEZDB-UHFFFAOYSA-N
XLogP5.18
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.62
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
CID 154696583
2-[2-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]ethyl]-6-azaspiro[2.5]octane
CID 163496008
N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride
CID 138562448
1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 103805401
(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide
CID 167706593
(3aR,6aS)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[(3-methyl-1-bicyclo[3.2.1]oct-5-enyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 156511272
2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine
CID 142611626
N-[5-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
CID 162451729
3-(1,3-dimethylpyrazol-4-yl)phenol
CID 130752122
6-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698588
N-(1-bromo-3-methylpentan-3-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 106168814
2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine
CID 83094396

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of N-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine (CID 137409202) is N-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for N-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for N-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine is CCC(C)(Nc1ccc(-c2cn(C)nc2C)cn1)C1(C(C)(C)C)CC12CCNCC2.
What is the InChIKey of N-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is RTUFKTCWRSEZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5/c1-8-23(6,25(22(3,4)5)17-24(25)11-13-26-14-12-24)28-21-10-9-19(15-27-21)20-16-30(7)29-18(20)2/h9-10,15-16,26H,8,11-14,17H2,1-7H3,(H,27,28).
What are the key properties of N-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine?
N-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 409.62 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butyl-6-azaspiro[2.5]octan-2-yl)butan-2-yl]-5-(1,3-dimethylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 137409202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).