tert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate

C24H29N5O3 — CID 58404844

IUPACtert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(C#CC3CCN(C(=O)OC(C)(C)C)CC3)c12
InChIInChI=1S/C24H29N5O3/c1-24(2,3)32-23(30)28-10-8-17(9-11-28)6-7-18-13-26-29-16-19(12-21(31-5)22(18)29)20-14-25-27(4)15-20/h12-17H,8-11H2,1-5H3
InChIKeyQLPMXBWKYAUAHI-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.74
Rot. Bonds2

About tert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate

tert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate (PubChem CID 58404844) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate
PubChem CID58404844
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Nametert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(C#CC3CCN(C(=O)OC(C)(C)C)CC3)c12
InChIInChI=1S/C24H29N5O3/c1-24(2,3)32-23(30)28-10-8-17(9-11-28)6-7-18-13-26-29-16-19(12-21(31-5)22(18)29)20-14-25-27(4)15-20/h12-17H,8-11H2,1-5H3
InChIKeyQLPMXBWKYAUAHI-UHFFFAOYSA-N
XLogP3.74
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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
tert-butyl piperazine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate
CID 175714476
tert-butyl (4R)-4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepane-1-carboxylate
CID 163301459
tert-butyl (3S)-3-[4-[3-cyano-4-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]pyrrolidine-1-carboxylate
CID 171847795
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 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate
CID 154941627
tert-butyl 4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-methylpiperazine-1-carboxylate
CID 175714263
tert-butyl 4-[4-[3-cyano-4-(1,1,1-trifluoropropan-2-yloxy)pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 174207032
tert-butyl 4-[4-[3-cyano-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 164921131
4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine
CID 58404854
tert-butyl azepane-1-carboxylate;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-ol
CID 163302303
tert-butyl 3-[[3-methoxy-4-(1-methylpyrazol-4-yl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 175084829

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate (CID 58404844) is tert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate is COc1cc(-c2cnn(C)c2)cn2ncc(C#CC3CCN(C(=O)OC(C)(C)C)CC3)c12.
What is the InChIKey of tert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate?
The InChIKey is QLPMXBWKYAUAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-24(2,3)32-23(30)28-10-8-17(9-11-28)6-7-18-13-26-29-16-19(12-21(31-5)22(18)29)20-14-25-27(4)15-20/h12-17H,8-11H2,1-5H3.
What are the key properties of tert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate has a molecular weight of 435.53 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]piperidine-1-carboxylate is sourced from PubChem (CID 58404844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).