4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

C27H26FN5O — CID 118647529

IUPAC4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCc1ncc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCCN(C)C3)c3cncn23)cc1F
InChIInChI=1S/C27H26FN5O/c1-18-24(28)10-22(13-31-18)27-23(21-7-5-19(12-29)6-8-21)11-26(25-14-30-17-33(25)27)34-16-20-4-3-9-32(2)15-20/h5-8,10-11,13-14,17,20H,3-4,9,15-16H2,1-2H3/t20-/m1/s1
InChIKeyCRPLWMLRYOMLSC-HXUWFJFHSA-N
MW455.54 g/mol
LogP5.10
Rot. Bonds5

About 4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 118647529) has the molecular formula C27H26FN5O and a molecular weight of 455.54 g/mol. Its IUPAC name is 4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID118647529
Molecular FormulaC27H26FN5O
Molecular Weight455.54 g/mol
Exact Mass455.21
IUPAC Name4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCc1ncc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCCN(C)C3)c3cncn23)cc1F
InChIInChI=1S/C27H26FN5O/c1-18-24(28)10-22(13-31-18)27-23(21-7-5-19(12-29)6-8-21)11-26(25-14-30-17-33(25)27)34-16-20-4-3-9-32(2)15-20/h5-8,10-11,13-14,17,20H,3-4,9,15-16H2,1-2H3/t20-/m1/s1
InChIKeyCRPLWMLRYOMLSC-HXUWFJFHSA-N
XLogP5.10
TPSA66.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.54
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 118647529) is 4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is Cc1ncc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCCN(C)C3)c3cncn23)cc1F.
What is the InChIKey of 4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is CRPLWMLRYOMLSC-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H26FN5O/c1-18-24(28)10-22(13-31-18)27-23(21-7-5-19(12-29)6-8-21)11-26(25-14-30-17-33(25)27)34-16-20-4-3-9-32(2)15-20/h5-8,10-11,13-14,17,20H,3-4,9,15-16H2,1-2H3/t20-/m1/s1.
What are the key properties of 4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 455.54 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-fluoro-6-methyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 118647529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).