[3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone

C23H26N6O — CID 126461099

IUPAC[3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C)n2cc(CNCc3c(C(=O)N4CCCC4)nc4ccccn34)nc2c1
InChIInChI=1S/C23H26N6O/c1-16-11-17(2)29-15-18(25-21(29)12-16)13-24-14-19-22(23(30)27-8-5-6-9-27)26-20-7-3-4-10-28(19)20/h3-4,7,10-12,15,24H,5-6,8-9,13-14H2,1-2H3
InChIKeyULXDBQTVLGRNGO-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.12
Rot. Bonds5

About [3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone

[3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 126461099) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is [3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID126461099
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name[3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C)n2cc(CNCc3c(C(=O)N4CCCC4)nc4ccccn34)nc2c1
InChIInChI=1S/C23H26N6O/c1-16-11-17(2)29-15-18(25-21(29)12-16)13-24-14-19-22(23(30)27-8-5-6-9-27)26-20-7-3-4-10-28(19)20/h3-4,7,10-12,15,24H,5-6,8-9,13-14H2,1-2H3
InChIKeyULXDBQTVLGRNGO-UHFFFAOYSA-N
XLogP3.12
TPSA66.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone (CID 126461099) is [3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone is Cc1cc(C)n2cc(CNCc3c(C(=O)N4CCCC4)nc4ccccn34)nc2c1.
What is the InChIKey of [3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ULXDBQTVLGRNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-16-11-17(2)29-15-18(25-21(29)12-16)13-24-14-19-22(23(30)27-8-5-6-9-27)26-20-7-3-4-10-28(19)20/h3-4,7,10-12,15,24H,5-6,8-9,13-14H2,1-2H3.
What are the key properties of [3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
[3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 402.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 126461099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).