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

C27H30N8O2 — CID 126740339

IUPAC1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methoxypropyl)piperidine-4-carboxamide
SMILESCOC(C)CNC(=O)C1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C27H30N8O2/c1-18(37-3)12-30-27(36)19-6-8-34(9-7-19)25-5-4-20(13-29-25)24-10-21(23-15-31-33(2)16-23)17-35-26(24)22(11-28)14-32-35/h4-5,10,13-19H,6-9,12H2,1-3H3,(H,30,36)
InChIKeyFSLHRHIDZOUMHB-UHFFFAOYSA-N
MW498.59 g/mol
LogP3.04
Rot. Bonds7

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

1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methoxypropyl)piperidine-4-carboxamide (PubChem CID 126740339) has the molecular formula C27H30N8O2 and a molecular weight of 498.59 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-(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-(2-methoxypropyl)piperidine-4-carboxamide
PubChem CID126740339
Molecular FormulaC27H30N8O2
Molecular Weight498.59 g/mol
Exact Mass498.25
IUPAC Name1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methoxypropyl)piperidine-4-carboxamide
SMILESCOC(C)CNC(=O)C1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C27H30N8O2/c1-18(37-3)12-30-27(36)19-6-8-34(9-7-19)25-5-4-20(13-29-25)24-10-21(23-15-31-33(2)16-23)17-35-26(24)22(11-28)14-32-35/h4-5,10,13-19H,6-9,12H2,1-3H3,(H,30,36)
InChIKeyFSLHRHIDZOUMHB-UHFFFAOYSA-N
XLogP3.04
TPSA113.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 53.04
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-(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-(2-methoxypropyl)piperidine-4-carboxamide (CID 126740339) is 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(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-(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-(2-methoxypropyl)piperidine-4-carboxamide is COC(C)CNC(=O)C1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is FSLHRHIDZOUMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2/c1-18(37-3)12-30-27(36)19-6-8-34(9-7-19)25-5-4-20(13-29-25)24-10-21(23-15-31-33(2)16-23)17-35-26(24)22(11-28)14-32-35/h4-5,10,13-19H,6-9,12H2,1-3H3,(H,30,36).
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-(2-methoxypropyl)piperidine-4-carboxamide?
1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 3.04, 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-(2-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 126740339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).