[8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone

C23H26N4O — CID 69110300

IUPAC[8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc2c(N)c(CC=Cc3ccccc3)c(C(=O)N3CCCC3)cn2c1C
InChIInChI=1S/C23H26N4O/c1-16-17(2)27-15-20(23(28)26-13-6-7-14-26)19(21(24)22(27)25-16)12-8-11-18-9-4-3-5-10-18/h3-5,8-11,15H,6-7,12-14,24H2,1-2H3
InChIKeyDVIQKCKLMZZPRO-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.03
Rot. Bonds4

About [8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone

[8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 69110300) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is [8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID69110300
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name[8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc2c(N)c(CC=Cc3ccccc3)c(C(=O)N3CCCC3)cn2c1C
InChIInChI=1S/C23H26N4O/c1-16-17(2)27-15-20(23(28)26-13-6-7-14-26)19(21(24)22(27)25-16)12-8-11-18-9-4-3-5-10-18/h3-5,8-11,15H,6-7,12-14,24H2,1-2H3
InChIKeyDVIQKCKLMZZPRO-UHFFFAOYSA-N
XLogP4.03
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone (CID 69110300) is [8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone is Cc1nc2c(N)c(CC=Cc3ccccc3)c(C(=O)N3CCCC3)cn2c1C.
What is the InChIKey of [8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DVIQKCKLMZZPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-17(2)27-15-20(23(28)26-13-6-7-14-26)19(21(24)22(27)25-16)12-8-11-18-9-4-3-5-10-18/h3-5,8-11,15H,6-7,12-14,24H2,1-2H3.
What are the key properties of [8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
[8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 374.49 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-amino-2,3-dimethyl-7-(3-phenylprop-2-enyl)imidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 69110300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).