[3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone

C24H29N5O — CID 28882916

IUPAC[3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCN1Cc2ccccc2C[C@@H]1CNCc1c(C(=O)N2CCCC2)nc2ccccn12
InChIInChI=1S/C24H29N5O/c1-27-17-19-9-3-2-8-18(19)14-20(27)15-25-16-21-23(24(30)28-11-6-7-12-28)26-22-10-4-5-13-29(21)22/h2-5,8-10,13,20,25H,6-7,11-12,14-17H2,1H3/t20-/m1/s1
InChIKeyBHRNUPTYGZIEPY-HXUWFJFHSA-N
MW403.53 g/mol
LogP2.72
Rot. Bonds5

About [3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone

[3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 28882916) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is [3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID28882916
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name[3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCN1Cc2ccccc2C[C@@H]1CNCc1c(C(=O)N2CCCC2)nc2ccccn12
InChIInChI=1S/C24H29N5O/c1-27-17-19-9-3-2-8-18(19)14-20(27)15-25-16-21-23(24(30)28-11-6-7-12-28)26-22-10-4-5-13-29(21)22/h2-5,8-10,13,20,25H,6-7,11-12,14-17H2,1H3/t20-/m1/s1
InChIKeyBHRNUPTYGZIEPY-HXUWFJFHSA-N
XLogP2.72
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone (CID 28882916) is [3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone is CN1Cc2ccccc2C[C@@H]1CNCc1c(C(=O)N2CCCC2)nc2ccccn12.
What is the InChIKey of [3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BHRNUPTYGZIEPY-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N5O/c1-27-17-19-9-3-2-8-18(19)14-20(27)15-25-16-21-23(24(30)28-11-6-7-12-28)26-22-10-4-5-13-29(21)22/h2-5,8-10,13,20,25H,6-7,11-12,14-17H2,1H3/t20-/m1/s1.
What are the key properties of [3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
[3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 403.53 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 28882916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).