tert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate

C36H39F2N7O4 — CID 156654435

IUPACtert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate
SMILESCc1c(F)cccc1C(=O)NC1(C)CCN(c2ccc(-c3cc(OCC4(F)CN(C(=O)OC(C)(C)C)C4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C36H39F2N7O4/c1-23-27(7-6-8-29(23)37)32(46)42-35(5)11-13-43(14-12-35)30-10-9-24(17-40-30)28-15-26(19-45-31(28)25(16-39)18-41-45)48-22-36(38)20-44(21-36)33(47)49-34(2,3)4/h6-10,15,17-19H,11-14,20-22H2,1-5H3,(H,42,46)
InChIKeyQGXPOCOWDSIAJO-UHFFFAOYSA-N
MW671.75 g/mol
LogP5.84
Rot. Bonds7

About tert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate

tert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate (PubChem CID 156654435) has the molecular formula C36H39F2N7O4 and a molecular weight of 671.75 g/mol. Its IUPAC name is tert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate
PubChem CID156654435
Molecular FormulaC36H39F2N7O4
Molecular Weight671.75 g/mol
Exact Mass671.30
IUPAC Nametert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate
SMILESCc1c(F)cccc1C(=O)NC1(C)CCN(c2ccc(-c3cc(OCC4(F)CN(C(=O)OC(C)(C)C)C4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C36H39F2N7O4/c1-23-27(7-6-8-29(23)37)32(46)42-35(5)11-13-43(14-12-35)30-10-9-24(17-40-30)28-15-26(19-45-31(28)25(16-39)18-41-45)48-22-36(38)20-44(21-36)33(47)49-34(2,3)4/h6-10,15,17-19H,11-14,20-22H2,1-5H3,(H,42,46)
InChIKeyQGXPOCOWDSIAJO-UHFFFAOYSA-N
XLogP5.84
TPSA125.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.75
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate with MolForge

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Related Compounds

N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-difluorobenzamide
CID 134436097
tert-butyl 3-[[4-[5-[4-[(2-chloro-6-methylbenzoyl)amino]-4-methylpiperidin-1-yl]pyrazin-2-yl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate
CID 134436361
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-methylbenzamide
CID 134434610
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-methylpyridine-3-carboxamide
CID 134497232
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-dimethylpyridine-4-carboxamide
CID 134496877
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 134497183
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 134434862
tert-butyl N-[1-[[4-[6-[4-[(3-chloropyridine-2-carbonyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]oxymethyl]cyclopropyl]carbamate
CID 155301261
N-[1-[5-(3-cyano-6-propoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
CID 165374205
tert-butyl 4-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 134436929
N-[1-[5-[3-cyano-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 134497117
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-4-ethynylbenzamide
CID 146667149

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate (CID 156654435) is tert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate is Cc1c(F)cccc1C(=O)NC1(C)CCN(c2ccc(-c3cc(OCC4(F)CN(C(=O)OC(C)(C)C)C4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of tert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate?
The InChIKey is QGXPOCOWDSIAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39F2N7O4/c1-23-27(7-6-8-29(23)37)32(46)42-35(5)11-13-43(14-12-35)30-10-9-24(17-40-30)28-15-26(19-45-31(28)25(16-39)18-41-45)48-22-36(38)20-44(21-36)33(47)49-34(2,3)4/h6-10,15,17-19H,11-14,20-22H2,1-5H3,(H,42,46).
What are the key properties of tert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate?
tert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate has a molecular weight of 671.75 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[3-cyano-4-[6-[4-[(3-fluoro-2-methylbenzoyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]-3-fluoroazetidine-1-carboxylate is sourced from PubChem (CID 156654435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).