6-(2-methoxy-4-pyridinyl)-1-methyl-N-(1-methylpiperidin-4-yl)-5-phenylimidazo[4,5-b]pyridine-2-carboxamide

C26H28N6O2 — CID 134807036

IUPAC6-(2-methoxy-4-pyridinyl)-1-methyl-N-(1-methylpiperidin-4-yl)-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
SMILESCOc1cc(-c2cc3c(nc2-c2ccccc2)nc(C(=O)NC2CCN(C)CC2)n3C)ccn1
InChIInChI=1S/C26H28N6O2/c1-31-13-10-19(11-14-31)28-26(33)25-30-24-21(32(25)2)16-20(18-9-12-27-22(15-18)34-3)23(29-24)17-7-5-4-6-8-17/h4-9,12,15-16,19H,10-11,13-14H2,1-3H3,(H,28,33)
InChIKeyBLGLEWUUPQNIIZ-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.53
Rot. Bonds5

About 6-(2-methoxy-4-pyridinyl)-1-methyl-N-(1-methylpiperidin-4-yl)-5-phenylimidazo[4,5-b]pyridine-2-carboxamide

6-(2-methoxy-4-pyridinyl)-1-methyl-N-(1-methylpiperidin-4-yl)-5-phenylimidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 134807036) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 6-(2-methoxy-4-pyridinyl)-1-methyl-N-(1-methylpiperidin-4-yl)-5-phenylimidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-methoxy-4-pyridinyl)-1-methyl-N-(1-methylpiperidin-4-yl)-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
PubChem CID134807036
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name6-(2-methoxy-4-pyridinyl)-1-methyl-N-(1-methylpiperidin-4-yl)-5-phenylimidazo[4,5-b]pyridine-2-carboxamide
SMILESCOc1cc(-c2cc3c(nc2-c2ccccc2)nc(C(=O)NC2CCN(C)CC2)n3C)ccn1
InChIInChI=1S/C26H28N6O2/c1-31-13-10-19(11-14-31)28-26(33)25-30-24-21(32(25)2)16-20(18-9-12-27-22(15-18)34-3)23(29-24)17-7-5-4-6-8-17/h4-9,12,15-16,19H,10-11,13-14H2,1-3H3,(H,28,33)
InChIKeyBLGLEWUUPQNIIZ-UHFFFAOYSA-N
XLogP3.53
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-4-pyridinyl)-1-methyl-N-(1-methylpiperidin-4-yl)-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of 6-(2-methoxy-4-pyridinyl)-1-methyl-N-(1-methylpiperidin-4-yl)-5-phenylimidazo[4,5-b]pyridine-2-carboxamide (CID 134807036) is 6-(2-methoxy-4-pyridinyl)-1-methyl-N-(1-methylpiperidin-4-yl)-5-phenylimidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2-methoxy-4-pyridinyl)-1-methyl-N-(1-methylpiperidin-4-yl)-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(2-methoxy-4-pyridinyl)-1-methyl-N-(1-methylpiperidin-4-yl)-5-phenylimidazo[4,5-b]pyridine-2-carboxamide is COc1cc(-c2cc3c(nc2-c2ccccc2)nc(C(=O)NC2CCN(C)CC2)n3C)ccn1.
What is the InChIKey of 6-(2-methoxy-4-pyridinyl)-1-methyl-N-(1-methylpiperidin-4-yl)-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is BLGLEWUUPQNIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-31-13-10-19(11-14-31)28-26(33)25-30-24-21(32(25)2)16-20(18-9-12-27-22(15-18)34-3)23(29-24)17-7-5-4-6-8-17/h4-9,12,15-16,19H,10-11,13-14H2,1-3H3,(H,28,33).
What are the key properties of 6-(2-methoxy-4-pyridinyl)-1-methyl-N-(1-methylpiperidin-4-yl)-5-phenylimidazo[4,5-b]pyridine-2-carboxamide?
6-(2-methoxy-4-pyridinyl)-1-methyl-N-(1-methylpiperidin-4-yl)-5-phenylimidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-4-pyridinyl)-1-methyl-N-(1-methylpiperidin-4-yl)-5-phenylimidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 134807036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).