N-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine

C23H31N5 — CID 155373888

IUPACN-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine
SMILESCNCCCc1c(C2CCCC(c3ncccc3C)N2C)nc2ccccn12
InChIInChI=1S/C23H31N5/c1-17-9-7-15-25-22(17)18-10-6-11-19(27(18)3)23-20(12-8-14-24-2)28-16-5-4-13-21(28)26-23/h4-5,7,9,13,15-16,18-19,24H,6,8,10-12,14H2,1-3H3
InChIKeyQMXMOZBGFILKJV-UHFFFAOYSA-N
MW377.54 g/mol
LogP4.09
Rot. Bonds6

About N-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine

N-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine (PubChem CID 155373888) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is N-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine
PubChem CID155373888
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC NameN-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine
SMILESCNCCCc1c(C2CCCC(c3ncccc3C)N2C)nc2ccccn12
InChIInChI=1S/C23H31N5/c1-17-9-7-15-25-22(17)18-10-6-11-19(27(18)3)23-20(12-8-14-24-2)28-16-5-4-13-21(28)26-23/h4-5,7,9,13,15-16,18-19,24H,6,8,10-12,14H2,1-3H3
InChIKeyQMXMOZBGFILKJV-UHFFFAOYSA-N
XLogP4.09
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine (CID 155373888) is N-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine is CNCCCc1c(C2CCCC(c3ncccc3C)N2C)nc2ccccn12.
What is the InChIKey of N-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine?
The InChIKey is QMXMOZBGFILKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5/c1-17-9-7-15-25-22(17)18-10-6-11-19(27(18)3)23-20(12-8-14-24-2)28-16-5-4-13-21(28)26-23/h4-5,7,9,13,15-16,18-19,24H,6,8,10-12,14H2,1-3H3.
What are the key properties of N-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine?
N-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine has a molecular weight of 377.54 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]propan-1-amine is sourced from PubChem (CID 155373888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).