1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile

C28H30N6O — CID 70958290

IUPAC1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCc1cccc(N2CCC(CCOc3ccc(-c4cc5c(ncn5C)c(C#N)n4)cc3C)CC2)n1
InChIInChI=1S/C28H30N6O/c1-19-15-22(23-16-25-28(24(17-29)32-23)30-18-33(25)3)7-8-26(19)35-14-11-21-9-12-34(13-10-21)27-6-4-5-20(2)31-27/h4-8,15-16,18,21H,9-14H2,1-3H3
InChIKeySLDVPDXHZBMMQN-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.20
Rot. Bonds6

About 1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile

1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 70958290) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is 1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID70958290
Molecular FormulaC28H30N6O
Molecular Weight466.59 g/mol
Exact Mass466.25
IUPAC Name1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESCc1cccc(N2CCC(CCOc3ccc(-c4cc5c(ncn5C)c(C#N)n4)cc3C)CC2)n1
InChIInChI=1S/C28H30N6O/c1-19-15-22(23-16-25-28(24(17-29)32-23)30-18-33(25)3)7-8-26(19)35-14-11-21-9-12-34(13-10-21)27-6-4-5-20(2)31-27/h4-8,15-16,18,21H,9-14H2,1-3H3
InChIKeySLDVPDXHZBMMQN-UHFFFAOYSA-N
XLogP5.20
TPSA79.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile (CID 70958290) is 1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is Cc1cccc(N2CCC(CCOc3ccc(-c4cc5c(ncn5C)c(C#N)n4)cc3C)CC2)n1.
What is the InChIKey of 1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is SLDVPDXHZBMMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O/c1-19-15-22(23-16-25-28(24(17-29)32-23)30-18-33(25)3)7-8-26(19)35-14-11-21-9-12-34(13-10-21)27-6-4-5-20(2)31-27/h4-8,15-16,18,21H,9-14H2,1-3H3.
What are the key properties of 1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile?
1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 466.59 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[3-methyl-4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]imidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 70958290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).