tert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

C25H34N6O3 — CID 67207321

IUPACtert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(CN3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)c12
InChIInChI=1S/C25H34N6O3/c1-24(2,3)34-23(32)30-8-6-25(7-9-30)16-29(17-25)14-20-12-27-31-15-18(10-21(33-5)22(20)31)19-11-26-28(4)13-19/h10-13,15H,6-9,14,16-17H2,1-5H3
InChIKeyXBUPALLINXTBGC-UHFFFAOYSA-N
MW466.59 g/mol
LogP3.58
Rot. Bonds4

About tert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 67207321) has the molecular formula C25H34N6O3 and a molecular weight of 466.59 g/mol. Its IUPAC name is tert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID67207321
Molecular FormulaC25H34N6O3
Molecular Weight466.59 g/mol
Exact Mass466.27
IUPAC Nametert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(CN3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)c12
InChIInChI=1S/C25H34N6O3/c1-24(2,3)34-23(32)30-8-6-25(7-9-30)16-29(17-25)14-20-12-27-31-15-18(10-21(33-5)22(20)31)19-11-26-28(4)13-19/h10-13,15H,6-9,14,16-17H2,1-5H3
InChIKeyXBUPALLINXTBGC-UHFFFAOYSA-N
XLogP3.58
TPSA77.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate
CID 58404844
tert-butyl piperazine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate
CID 175714476
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287
tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol
CID 163302303
3-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methylamino]-1H-pyridin-2-one
CID 58404732
tert-butyl 2-benzyl-2,8-diazaspiro[3.6]decane-8-carboxylate
CID 139877676
tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]piperazine-1-carboxylate
CID 140882208
tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 130449700
tert-butyl 4-methyl-4-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 86789124
tert-butyl 2-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 178130470
tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 177310837
tert-butyl 2-[2-(4-bromophenyl)ethyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 176549771

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 67207321) is tert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is COc1cc(-c2cnn(C)c2)cn2ncc(CN3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)c12.
What is the InChIKey of tert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is XBUPALLINXTBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3/c1-24(2,3)34-23(32)30-8-6-25(7-9-30)16-29(17-25)14-20-12-27-31-15-18(10-21(33-5)22(20)31)19-11-26-28(4)13-19/h10-13,15H,6-9,14,16-17H2,1-5H3.
What are the key properties of tert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 466.59 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 67207321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).