tert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate

C25H31N5O2 — CID 163232175

IUPACtert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCC(c3cnn4ccc(-c5ccc(N)cn5)cc34)CC2)C1
InChIInChI=1S/C25H31N5O2/c1-24(2,3)32-23(31)29-15-25(16-29)9-6-17(7-10-25)20-14-28-30-11-8-18(12-22(20)30)21-5-4-19(26)13-27-21/h4-5,8,11-14,17H,6-7,9-10,15-16,26H2,1-3H3
InChIKeyYMKLENVJTKMOME-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.87
Rot. Bonds2

About tert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate

tert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate (PubChem CID 163232175) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is tert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate
PubChem CID163232175
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Nametert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCC(c3cnn4ccc(-c5ccc(N)cn5)cc34)CC2)C1
InChIInChI=1S/C25H31N5O2/c1-24(2,3)32-23(31)29-15-25(16-29)9-6-17(7-10-25)20-14-28-30-11-8-18(12-22(20)30)21-5-4-19(26)13-27-21/h4-5,8,11-14,17H,6-7,9-10,15-16,26H2,1-3H3
InChIKeyYMKLENVJTKMOME-UHFFFAOYSA-N
XLogP4.87
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid
CID 74892502
tert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 77286814
tert-butyl 6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane-2-carboxylate
CID 156864561
tert-butyl 7-(3-amino-6-chloropyridazin-4-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 168901631
tert-butyl 4-[[(5-amino-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 53255819
tert-butyl 3-[[6-(4-carbamoyl-3-fluorophenyl)-3-pyridinyl]oxy]azetidine-1-carboxylate
CID 58180454
tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate
CID 144515725
tert-butyl 7-(2-aminophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 89272008
tert-butyl 3-[(5-amino-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 118278679
tert-butyl 6-[5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 164900399
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 177168423
tert-butyl 7-(bromomethyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 163218590

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate (CID 163232175) is tert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CCC(c3cnn4ccc(-c5ccc(N)cn5)cc34)CC2)C1.
What is the InChIKey of tert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate?
The InChIKey is YMKLENVJTKMOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-24(2,3)32-23(31)29-15-25(16-29)9-6-17(7-10-25)20-14-28-30-11-8-18(12-22(20)30)21-5-4-19(26)13-27-21/h4-5,8,11-14,17H,6-7,9-10,15-16,26H2,1-3H3.
What are the key properties of tert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate?
tert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate has a molecular weight of 433.56 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 163232175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).