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

C29H31FN6O — CID 134435379

IUPAC6-ethoxy-4-[6-[4-[(5-fluoro-2-methylphenyl)methylamino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(C)(NCc4cc(F)ccc4C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H31FN6O/c1-4-37-25-14-26(28-23(15-31)18-34-36(28)19-25)21-6-8-27(32-16-21)35-11-9-29(3,10-12-35)33-17-22-13-24(30)7-5-20(22)2/h5-8,13-14,16,18-19,33H,4,9-12,17H2,1-3H3
InChIKeyDZMQFIDANDIWLY-UHFFFAOYSA-N
MW498.61 g/mol
LogP5.26
Rot. Bonds7

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

6-ethoxy-4-[6-[4-[(5-fluoro-2-methylphenyl)methylamino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435379) has the molecular formula C29H31FN6O and a molecular weight of 498.61 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[4-[(5-fluoro-2-methylphenyl)methylamino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-[4-[(5-fluoro-2-methylphenyl)methylamino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435379
Molecular FormulaC29H31FN6O
Molecular Weight498.61 g/mol
Exact Mass498.25
IUPAC Name6-ethoxy-4-[6-[4-[(5-fluoro-2-methylphenyl)methylamino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(C)(NCc4cc(F)ccc4C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C29H31FN6O/c1-4-37-25-14-26(28-23(15-31)18-34-36(28)19-25)21-6-8-27(32-16-21)35-11-9-29(3,10-12-35)33-17-22-13-24(30)7-5-20(22)2/h5-8,13-14,16,18-19,33H,4,9-12,17H2,1-3H3
InChIKeyDZMQFIDANDIWLY-UHFFFAOYSA-N
XLogP5.26
TPSA78.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.61
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[4-[(5-fluoro-2-methylphenyl)methylamino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-[4-[(5-fluoro-2-methylphenyl)methylamino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435379) is 6-ethoxy-4-[6-[4-[(5-fluoro-2-methylphenyl)methylamino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-[4-[(5-fluoro-2-methylphenyl)methylamino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-[4-[(5-fluoro-2-methylphenyl)methylamino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(C)(NCc4cc(F)ccc4C)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-ethoxy-4-[6-[4-[(5-fluoro-2-methylphenyl)methylamino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is DZMQFIDANDIWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN6O/c1-4-37-25-14-26(28-23(15-31)18-34-36(28)19-25)21-6-8-27(32-16-21)35-11-9-29(3,10-12-35)33-17-22-13-24(30)7-5-20(22)2/h5-8,13-14,16,18-19,33H,4,9-12,17H2,1-3H3.
What are the key properties of 6-ethoxy-4-[6-[4-[(5-fluoro-2-methylphenyl)methylamino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-[4-[(5-fluoro-2-methylphenyl)methylamino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 498.61 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-[4-[(5-fluoro-2-methylphenyl)methylamino]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).