N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide

C28H27FN6O2 — CID 134435956

IUPACN-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
SMILESCOc1cc(-c2ccc(N3CCC(C)(NC(=O)c4cc(F)ccc4C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C28H27FN6O2/c1-18-4-6-21(29)12-23(18)27(36)33-28(2)8-10-34(11-9-28)25-7-5-19(15-31-25)24-13-22(37-3)17-35-26(24)20(14-30)16-32-35/h4-7,12-13,15-17H,8-11H2,1-3H3,(H,33,36)
InChIKeyQCFQPVIYTPQFNX-UHFFFAOYSA-N
MW498.56 g/mol
LogP4.51
Rot. Bonds5

About N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide

N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide (PubChem CID 134435956) has the molecular formula C28H27FN6O2 and a molecular weight of 498.56 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
PubChem CID134435956
Molecular FormulaC28H27FN6O2
Molecular Weight498.56 g/mol
Exact Mass498.22
IUPAC NameN-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
SMILESCOc1cc(-c2ccc(N3CCC(C)(NC(=O)c4cc(F)ccc4C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C28H27FN6O2/c1-18-4-6-21(29)12-23(18)27(36)33-28(2)8-10-34(11-9-28)25-7-5-19(15-31-25)24-13-22(37-3)17-35-26(24)20(14-30)16-32-35/h4-7,12-13,15-17H,8-11H2,1-3H3,(H,33,36)
InChIKeyQCFQPVIYTPQFNX-UHFFFAOYSA-N
XLogP4.51
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide (CID 134435956) is N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide is COc1cc(-c2ccc(N3CCC(C)(NC(=O)c4cc(F)ccc4C)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
The InChIKey is QCFQPVIYTPQFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O2/c1-18-4-6-21(29)12-23(18)27(36)33-28(2)8-10-34(11-9-28)25-7-5-19(15-31-25)24-13-22(37-3)17-35-26(24)20(14-30)16-32-35/h4-7,12-13,15-17H,8-11H2,1-3H3,(H,33,36).
What are the key properties of N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 498.56 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 134435956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).