tert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate

C27H34N6O4 — CID 134435714

IUPACtert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCOC(C)(C)COc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H34N6O4/c1-26(2,3)37-25(34)32-11-9-31(10-12-32)23-8-7-19(15-29-23)22-13-21(36-18-27(4,5)35-6)17-33-24(22)20(14-28)16-30-33/h7-8,13,15-17H,9-12,18H2,1-6H3
InChIKeyIQDWIHMFFUJROO-UHFFFAOYSA-N
MW506.61 g/mol
LogP4.13
Rot. Bonds6

About tert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate

tert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 134435714) has the molecular formula C27H34N6O4 and a molecular weight of 506.61 g/mol. Its IUPAC name is tert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
PubChem CID134435714
Molecular FormulaC27H34N6O4
Molecular Weight506.61 g/mol
Exact Mass506.26
IUPAC Nametert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
SMILESCOC(C)(C)COc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H34N6O4/c1-26(2,3)37-25(34)32-11-9-31(10-12-32)23-8-7-19(15-29-23)22-13-21(36-18-27(4,5)35-6)17-33-24(22)20(14-28)16-30-33/h7-8,13,15-17H,9-12,18H2,1-6H3
InChIKeyIQDWIHMFFUJROO-UHFFFAOYSA-N
XLogP4.13
TPSA105.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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-(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-imidazol-1-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 134496348
tert-butyl N-[(2R)-1-[4-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 140872402
6-(2-hydroxy-2-methylpropoxy)-4-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242
6-methoxy-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668471
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
6-ethoxy-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826
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
6-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-[(1-hydroxycyclopropyl)methoxy]-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-methoxy-2-methylpropoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-[(2S)-3,3,3-trifluoro-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 165039913
6-ethoxy-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435526
[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate
CID 164737586

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of 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) is tert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate is COC(C)(C)COc1cc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of tert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is IQDWIHMFFUJROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4/c1-26(2,3)37-25(34)32-11-9-31(10-12-32)23-8-7-19(15-29-23)22-13-21(36-18-27(4,5)35-6)17-33-24(22)20(14-28)16-30-33/h7-8,13,15-17H,9-12,18H2,1-6H3.
What are the key properties of tert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate?
tert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 506.61 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[3-cyano-6-(2-methoxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 134435714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).