1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide

C27H27F3N8O2 — CID 126740402

IUPAC1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide
SMILESCOC(CNC(=O)C1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)C(F)(F)F
InChIInChI=1S/C27H27F3N8O2/c1-36-15-21(13-34-36)19-9-22(25-20(10-31)12-35-38(25)16-19)18-3-4-24(32-11-18)37-7-5-17(6-8-37)26(39)33-14-23(40-2)27(28,29)30/h3-4,9,11-13,15-17,23H,5-8,14H2,1-2H3,(H,33,39)
InChIKeyWKDDKOPIEUDUOB-UHFFFAOYSA-N
MW552.56 g/mol
LogP3.58
Rot. Bonds7

About 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide

1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide (PubChem CID 126740402) has the molecular formula C27H27F3N8O2 and a molecular weight of 552.56 g/mol. Its IUPAC name is 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide
PubChem CID126740402
Molecular FormulaC27H27F3N8O2
Molecular Weight552.56 g/mol
Exact Mass552.22
IUPAC Name1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide
SMILESCOC(CNC(=O)C1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)C(F)(F)F
InChIInChI=1S/C27H27F3N8O2/c1-36-15-21(13-34-36)19-9-22(25-20(10-31)12-35-38(25)16-19)18-3-4-24(32-11-18)37-7-5-17(6-8-37)26(39)33-14-23(40-2)27(28,29)30/h3-4,9,11-13,15-17,23H,5-8,14H2,1-2H3,(H,33,39)
InChIKeyWKDDKOPIEUDUOB-UHFFFAOYSA-N
XLogP3.58
TPSA113.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.56
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide (CID 126740402) is 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide is COC(CNC(=O)C1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)C(F)(F)F.
What is the InChIKey of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is WKDDKOPIEUDUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N8O2/c1-36-15-21(13-34-36)19-9-22(25-20(10-31)12-35-38(25)16-19)18-3-4-24(32-11-18)37-7-5-17(6-8-37)26(39)33-14-23(40-2)27(28,29)30/h3-4,9,11-13,15-17,23H,5-8,14H2,1-2H3,(H,33,39).
What are the key properties of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide?
1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 552.56 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 126740402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).