1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine

C17H18N4 — CID 62205742

IUPAC1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1c(N2Cc3ccccc3C2)nc2ccccn12
InChIInChI=1S/C17H18N4/c1-18-10-15-17(19-16-8-4-5-9-21(15)16)20-11-13-6-2-3-7-14(13)12-20/h2-9,18H,10-12H2,1H3
InChIKeyLRFUNPMVJZGENH-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.57
Rot. Bonds3

About 1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine

1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine (PubChem CID 62205742) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
PubChem CID62205742
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1c(N2Cc3ccccc3C2)nc2ccccn12
InChIInChI=1S/C17H18N4/c1-18-10-15-17(19-16-8-4-5-9-21(15)16)20-11-13-6-2-3-7-14(13)12-20/h2-9,18H,10-12H2,1H3
InChIKeyLRFUNPMVJZGENH-UHFFFAOYSA-N
XLogP2.57
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine (CID 62205742) is 1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine is CNCc1c(N2Cc3ccccc3C2)nc2ccccn12.
What is the InChIKey of 1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The InChIKey is LRFUNPMVJZGENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-18-10-15-17(19-16-8-4-5-9-21(15)16)20-11-13-6-2-3-7-14(13)12-20/h2-9,18H,10-12H2,1H3.
What are the key properties of 1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine has a molecular weight of 278.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62205742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).