N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-7-methylimidazo[1,2-a]pyridin-3-amine

C24H20N4O2 — CID 5086830

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-7-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3c[nH]c4ccccc34)nc2c1
InChIInChI=1S/C24H20N4O2/c1-15-8-9-28-22(12-15)27-23(18-14-25-19-5-3-2-4-17(18)19)24(28)26-16-6-7-20-21(13-16)30-11-10-29-20/h2-9,12-14,25-26H,10-11H2,1H3
InChIKeyKRDYBQZKXBBDKO-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.31
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-7-methylimidazo[1,2-a]pyridin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-7-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 5086830) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-7-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-7-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID5086830
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-7-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3c[nH]c4ccccc34)nc2c1
InChIInChI=1S/C24H20N4O2/c1-15-8-9-28-22(12-15)27-23(18-14-25-19-5-3-2-4-17(18)19)24(28)26-16-6-7-20-21(13-16)30-11-10-29-20/h2-9,12-14,25-26H,10-11H2,1H3
InChIKeyKRDYBQZKXBBDKO-UHFFFAOYSA-N
XLogP5.31
TPSA63.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-7-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-7-methylimidazo[1,2-a]pyridin-3-amine (CID 5086830) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-7-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-7-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-7-methylimidazo[1,2-a]pyridin-3-amine is Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3c[nH]c4ccccc34)nc2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-7-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is KRDYBQZKXBBDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-15-8-9-28-22(12-15)27-23(18-14-25-19-5-3-2-4-17(18)19)24(28)26-16-6-7-20-21(13-16)30-11-10-29-20/h2-9,12-14,25-26H,10-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-7-methylimidazo[1,2-a]pyridin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-7-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 396.45 g/mol, XLogP of 5.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-7-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 5086830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).