8-(1,2-dimethyl-4-propan-2-yl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-c]pyridine

C22H24N2O — CID 118651263

IUPAC8-(1,2-dimethyl-4-propan-2-yl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-c]pyridine
SMILESCc1ccc2c(oc3cnccc32)c1C1(C)C=C(C(C)C)C=CN1C
InChIInChI=1S/C22H24N2O/c1-14(2)16-9-11-24(5)22(4,12-16)20-15(3)6-7-18-17-8-10-23-13-19(17)25-21(18)20/h6-14H,1-5H3
InChIKeyCGHKEMRVXIWERB-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.55
Rot. Bonds2

About 8-(1,2-dimethyl-4-propan-2-yl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-c]pyridine

8-(1,2-dimethyl-4-propan-2-yl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-c]pyridine (PubChem CID 118651263) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 8-(1,2-dimethyl-4-propan-2-yl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name8-(1,2-dimethyl-4-propan-2-yl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-c]pyridine
PubChem CID118651263
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name8-(1,2-dimethyl-4-propan-2-yl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-c]pyridine
SMILESCc1ccc2c(oc3cnccc32)c1C1(C)C=C(C(C)C)C=CN1C
InChIInChI=1S/C22H24N2O/c1-14(2)16-9-11-24(5)22(4,12-16)20-15(3)6-7-18-17-8-10-23-13-19(17)25-21(18)20/h6-14H,1-5H3
InChIKeyCGHKEMRVXIWERB-UHFFFAOYSA-N
XLogP5.55
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(1,2-dimethyl-4-propan-2-yl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 8-(1,2-dimethyl-4-propan-2-yl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-c]pyridine (CID 118651263) is 8-(1,2-dimethyl-4-propan-2-yl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 8-(1,2-dimethyl-4-propan-2-yl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 8-(1,2-dimethyl-4-propan-2-yl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-c]pyridine is Cc1ccc2c(oc3cnccc32)c1C1(C)C=C(C(C)C)C=CN1C.
What is the InChIKey of 8-(1,2-dimethyl-4-propan-2-yl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-c]pyridine?
The InChIKey is CGHKEMRVXIWERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-14(2)16-9-11-24(5)22(4,12-16)20-15(3)6-7-18-17-8-10-23-13-19(17)25-21(18)20/h6-14H,1-5H3.
What are the key properties of 8-(1,2-dimethyl-4-propan-2-yl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-c]pyridine?
8-(1,2-dimethyl-4-propan-2-yl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-c]pyridine has a molecular weight of 332.45 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2-dimethyl-4-propan-2-yl-2-pyridinyl)-7-methyl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 118651263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).