6-ethoxy-4-[6-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H28FN7O — CID 134435499

IUPAC6-ethoxy-4-[6-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(C)(Nc4nc(C)ccc4F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H28FN7O/c1-4-36-21-13-22(25-20(14-29)16-31-35(25)17-21)19-6-8-24(30-15-19)34-11-9-27(3,10-12-34)33-26-23(28)7-5-18(2)32-26/h5-8,13,15-17H,4,9-12H2,1-3H3,(H,32,33)
InChIKeyRBYQBWBPCVABLL-UHFFFAOYSA-N
MW485.57 g/mol
LogP4.98
Rot. Bonds6

About 6-ethoxy-4-[6-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435499) has the molecular formula C27H28FN7O and a molecular weight of 485.57 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435499
Molecular FormulaC27H28FN7O
Molecular Weight485.57 g/mol
Exact Mass485.23
IUPAC Name6-ethoxy-4-[6-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(C)(Nc4nc(C)ccc4F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H28FN7O/c1-4-36-21-13-22(25-20(14-29)16-31-35(25)17-21)19-6-8-24(30-15-19)34-11-9-27(3,10-12-34)33-26-23(28)7-5-18(2)32-26/h5-8,13,15-17H,4,9-12H2,1-3H3,(H,32,33)
InChIKeyRBYQBWBPCVABLL-UHFFFAOYSA-N
XLogP4.98
TPSA91.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435499) is 6-ethoxy-4-[6-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(C)(Nc4nc(C)ccc4F)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-ethoxy-4-[6-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is RBYQBWBPCVABLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN7O/c1-4-36-21-13-22(25-20(14-29)16-31-35(25)17-21)19-6-8-24(30-15-19)34-11-9-27(3,10-12-34)33-26-23(28)7-5-18(2)32-26/h5-8,13,15-17H,4,9-12H2,1-3H3,(H,32,33).
What are the key properties of 6-ethoxy-4-[6-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 485.57 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-[4-[(3-fluoro-6-methyl-2-pyridinyl)amino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).