tert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate

C39H48N8O3 — CID 162726516

IUPACtert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate
SMILESCC(C)(C)NC(=O)C1(C)CCN(c2ccc(-c3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C39H48N8O3/c1-37(2,3)43-35(48)39(7)14-16-45(17-15-39)33-13-10-28(24-41-33)32-22-29(26-47-34(32)30(23-40)25-42-47)27-8-11-31(12-9-27)44-18-20-46(21-19-44)36(49)50-38(4,5)6/h8-13,22,24-26H,14-21H2,1-7H3,(H,43,48)
InChIKeyYSWAXGBERVKIER-UHFFFAOYSA-N
MW676.87 g/mol
LogP6.51
Rot. Bonds5

About tert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate

tert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate (PubChem CID 162726516) has the molecular formula C39H48N8O3 and a molecular weight of 676.87 g/mol. Its IUPAC name is tert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate
PubChem CID162726516
Molecular FormulaC39H48N8O3
Molecular Weight676.87 g/mol
Exact Mass676.38
IUPAC Nametert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate
SMILESCC(C)(C)NC(=O)C1(C)CCN(c2ccc(-c3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C39H48N8O3/c1-37(2,3)43-35(48)39(7)14-16-45(17-15-39)33-13-10-28(24-41-33)32-22-29(26-47-34(32)30(23-40)25-42-47)27-8-11-31(12-9-27)44-18-20-46(21-19-44)36(49)50-38(4,5)6/h8-13,22,24-26H,14-21H2,1-7H3,(H,43,48)
InChIKeyYSWAXGBERVKIER-UHFFFAOYSA-N
XLogP6.51
TPSA119.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.87
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 155181405
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
tert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 134435714
[1-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl] N-tert-butylcarbamate
CID 138591024
tert-butyl 4-[5-[3-cyano-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 140882198
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 4-[5-[3-cyano-6-(2-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 134496348
tert-butyl N-[2-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethyl]carbamate
CID 126752988
1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 162726111
tert-butyl N-tert-butyl-N-[2-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 126740126
tert-butyl 3-[3-cyano-4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]-2,5-dihydropyrrole-1-carboxylate
CID 155180896
4-[6-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740252

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate (CID 162726516) is tert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate is CC(C)(C)NC(=O)C1(C)CCN(c2ccc(-c3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of tert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate?
The InChIKey is YSWAXGBERVKIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H48N8O3/c1-37(2,3)43-35(48)39(7)14-16-45(17-15-39)33-13-10-28(24-41-33)32-22-29(26-47-34(32)30(23-40)25-42-47)27-8-11-31(12-9-27)44-18-20-46(21-19-44)36(49)50-38(4,5)6/h8-13,22,24-26H,14-21H2,1-7H3,(H,43,48).
What are the key properties of tert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate?
tert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate has a molecular weight of 676.87 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate is sourced from PubChem (CID 162726516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).