tert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate

C27H33N7O4 — CID 154941627

IUPACtert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate
SMILESCCOc1cc(-c2cnn(C3CCN(C(=O)C4CN(C(=O)OC(C)(C)C)C4)CC3)c2)cn2ncc(C#N)c12
InChIInChI=1S/C27H33N7O4/c1-5-37-23-10-18(16-34-24(23)19(11-28)12-30-34)20-13-29-33(17-20)22-6-8-31(9-7-22)25(35)21-14-32(15-21)26(36)38-27(2,3)4/h10,12-13,16-17,21-22H,5-9,14-15H2,1-4H3
InChIKeyLSLQSEQAFTZUBM-UHFFFAOYSA-N
MW519.61 g/mol
LogP3.50
Rot. Bonds5

About tert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate

tert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate (PubChem CID 154941627) has the molecular formula C27H33N7O4 and a molecular weight of 519.61 g/mol. Its IUPAC name is tert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate
PubChem CID154941627
Molecular FormulaC27H33N7O4
Molecular Weight519.61 g/mol
Exact Mass519.26
IUPAC Nametert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate
SMILESCCOc1cc(-c2cnn(C3CCN(C(=O)C4CN(C(=O)OC(C)(C)C)C4)CC3)c2)cn2ncc(C#N)c12
InChIInChI=1S/C27H33N7O4/c1-5-37-23-10-18(16-34-24(23)19(11-28)12-30-34)20-13-29-33(17-20)22-6-8-31(9-7-22)25(35)21-14-32(15-21)26(36)38-27(2,3)4/h10,12-13,16-17,21-22H,5-9,14-15H2,1-4H3
InChIKeyLSLQSEQAFTZUBM-UHFFFAOYSA-N
XLogP3.50
TPSA117.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.61
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate with MolForge

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Related Compounds

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 (3S)-3-[4-(3-cyano-4-hydroxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 171848191
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 (3S)-3-[4-[3-cyano-4-[(1R)-1-(2,6-dichlorophenyl)ethyl]sulfanylpyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 171848389
6-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847295
tert-butyl (3S)-3-[4-[4-[(3-chloro-2-pyridinyl)sulfanyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 171848340
tert-butyl piperazine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate
CID 175714476
tert-butyl 4-[4-(3-cyano-5-methylphenyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 172989944
tert-butyl 4-[4-[3-cyano-4-[2-(5-fluoro-2-pyridinyl)-2-oxoethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
CID 176863951
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
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-[4-[6-(6-benzyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 162725748

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate?
The IUPAC name of 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) is tert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate is CCOc1cc(-c2cnn(C3CCN(C(=O)C4CN(C(=O)OC(C)(C)C)C4)CC3)c2)cn2ncc(C#N)c12.
What is the InChIKey of tert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate?
The InChIKey is LSLQSEQAFTZUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O4/c1-5-37-23-10-18(16-34-24(23)19(11-28)12-30-34)20-13-29-33(17-20)22-6-8-31(9-7-22)25(35)21-14-32(15-21)26(36)38-27(2,3)4/h10,12-13,16-17,21-22H,5-9,14-15H2,1-4H3.
What are the key properties of tert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate?
tert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate has a molecular weight of 519.61 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-[4-(3-cyano-4-ethoxypyrazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]piperidine-1-carbonyl]azetidine-1-carboxylate is sourced from PubChem (CID 154941627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).