2,6-dichloro-N-[7-[(3-hydroxy-4-pyridinyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide

C21H16Cl2N4O2 — CID 67767746

IUPAC2,6-dichloro-N-[7-[(3-hydroxy-4-pyridinyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
SMILESCc1cn2ccc(Cc3ccncc3O)c(NC(=O)c3c(Cl)cccc3Cl)c2n1
InChIInChI=1S/C21H16Cl2N4O2/c1-12-11-27-8-6-14(9-13-5-7-24-10-17(13)28)19(20(27)25-12)26-21(29)18-15(22)3-2-4-16(18)23/h2-8,10-11,28H,9H2,1H3,(H,26,29)
InChIKeyICMQRPPUHSECDL-UHFFFAOYSA-N
MW427.29 g/mol
LogP4.89
Rot. Bonds4

About 2,6-dichloro-N-[7-[(3-hydroxy-4-pyridinyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide

2,6-dichloro-N-[7-[(3-hydroxy-4-pyridinyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide (PubChem CID 67767746) has the molecular formula C21H16Cl2N4O2 and a molecular weight of 427.29 g/mol. Its IUPAC name is 2,6-dichloro-N-[7-[(3-hydroxy-4-pyridinyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[7-[(3-hydroxy-4-pyridinyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
PubChem CID67767746
Molecular FormulaC21H16Cl2N4O2
Molecular Weight427.29 g/mol
Exact Mass426.07
IUPAC Name2,6-dichloro-N-[7-[(3-hydroxy-4-pyridinyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
SMILESCc1cn2ccc(Cc3ccncc3O)c(NC(=O)c3c(Cl)cccc3Cl)c2n1
InChIInChI=1S/C21H16Cl2N4O2/c1-12-11-27-8-6-14(9-13-5-7-24-10-17(13)28)19(20(27)25-12)26-21(29)18-15(22)3-2-4-16(18)23/h2-8,10-11,28H,9H2,1H3,(H,26,29)
InChIKeyICMQRPPUHSECDL-UHFFFAOYSA-N
XLogP4.89
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.29
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[7-[(3-hydroxy-4-pyridinyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[7-[(3-hydroxy-4-pyridinyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide (CID 67767746) is 2,6-dichloro-N-[7-[(3-hydroxy-4-pyridinyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[7-[(3-hydroxy-4-pyridinyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[7-[(3-hydroxy-4-pyridinyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide is Cc1cn2ccc(Cc3ccncc3O)c(NC(=O)c3c(Cl)cccc3Cl)c2n1.
What is the InChIKey of 2,6-dichloro-N-[7-[(3-hydroxy-4-pyridinyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide?
The InChIKey is ICMQRPPUHSECDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O2/c1-12-11-27-8-6-14(9-13-5-7-24-10-17(13)28)19(20(27)25-12)26-21(29)18-15(22)3-2-4-16(18)23/h2-8,10-11,28H,9H2,1H3,(H,26,29).
What are the key properties of 2,6-dichloro-N-[7-[(3-hydroxy-4-pyridinyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide?
2,6-dichloro-N-[7-[(3-hydroxy-4-pyridinyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide has a molecular weight of 427.29 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[7-[(3-hydroxy-4-pyridinyl)methyl]-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 67767746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).