N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine

C24H27N5 — CID 119127944

IUPACN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
SMILESCc1cccc2nc(CNCc3cc4ccccc4nc3N3CCCCC3)cn12
InChIInChI=1S/C24H27N5/c1-18-8-7-11-23-26-21(17-29(18)23)16-25-15-20-14-19-9-3-4-10-22(19)27-24(20)28-12-5-2-6-13-28/h3-4,7-11,14,17,25H,2,5-6,12-13,15-16H2,1H3
InChIKeyRLHYORVPIPYUNF-UHFFFAOYSA-N
MW385.52 g/mol
LogP4.47
Rot. Bonds5

About N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine

N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine (PubChem CID 119127944) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
PubChem CID119127944
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC NameN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
SMILESCc1cccc2nc(CNCc3cc4ccccc4nc3N3CCCCC3)cn12
InChIInChI=1S/C24H27N5/c1-18-8-7-11-23-26-21(17-29(18)23)16-25-15-20-14-19-9-3-4-10-22(19)27-24(20)28-12-5-2-6-13-28/h3-4,7-11,14,17,25H,2,5-6,12-13,15-16H2,1H3
InChIKeyRLHYORVPIPYUNF-UHFFFAOYSA-N
XLogP4.47
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine?
The IUPAC name of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine (CID 119127944) is N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine.
What is the SMILES notation for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine?
The canonical SMILES for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine is Cc1cccc2nc(CNCc3cc4ccccc4nc3N3CCCCC3)cn12.
What is the InChIKey of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine?
The InChIKey is RLHYORVPIPYUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-18-8-7-11-23-26-21(17-29(18)23)16-25-15-20-14-19-9-3-4-10-22(19)27-24(20)28-12-5-2-6-13-28/h3-4,7-11,14,17,25H,2,5-6,12-13,15-16H2,1H3.
What are the key properties of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine?
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine has a molecular weight of 385.52 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine is sourced from PubChem (CID 119127944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).