tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

C23H27N5O3 — CID 177310837

IUPACtert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCOc1cc(-c2ccc(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc2)cn2nccc12
InChIInChI=1S/C23H27N5O3/c1-22(2,3)31-21(29)27-14-23(15-27)12-26(13-23)20-6-5-16(10-24-20)17-9-19(30-4)18-7-8-25-28(18)11-17/h5-11H,12-15H2,1-4H3
InChIKeyYRVZNXGUCZBORT-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.46
Rot. Bonds3

About tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate (PubChem CID 177310837) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
PubChem CID177310837
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Nametert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCOc1cc(-c2ccc(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc2)cn2nccc12
InChIInChI=1S/C23H27N5O3/c1-22(2,3)31-21(29)27-14-23(15-27)12-26(13-23)20-6-5-16(10-24-20)17-9-19(30-4)18-7-8-25-28(18)11-17/h5-11H,12-15H2,1-4H3
InChIKeyYRVZNXGUCZBORT-UHFFFAOYSA-N
XLogP3.46
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175704989
tert-butyl 6-pyrazin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 132850081
tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134434726
tert-butyl 6-(4-phenylphenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 102596666
4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 163673367
CID 89265211
CID 89265211
tert-butyl 2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 165130455
tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol
CID 163302303
tert-butyl 6-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175776705
tert-butyl 6-(6-fluoro-3-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 70822327
tert-butyl 6-(3-bromophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 170087679
tert-butyl 6-(2,5-dimethoxy-4-nitrophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 178015628

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate (CID 177310837) is tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate is COc1cc(-c2ccc(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)nc2)cn2nccc12.
What is the InChIKey of tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The InChIKey is YRVZNXGUCZBORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-22(2,3)31-21(29)27-14-23(15-27)12-26(13-23)20-6-5-16(10-24-20)17-9-19(30-4)18-7-8-25-28(18)11-17/h5-11H,12-15H2,1-4H3.
What are the key properties of tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate has a molecular weight of 421.50 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 177310837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).