2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C24H30N4O2 — CID 142751927

IUPAC2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)OCC1CCN(c2ccc(Cc3nc4ccccn4c3C(N)=O)cc2)CC1
InChIInChI=1S/C24H30N4O2/c1-17(2)30-16-19-10-13-27(14-11-19)20-8-6-18(7-9-20)15-21-23(24(25)29)28-12-4-3-5-22(28)26-21/h3-9,12,17,19H,10-11,13-16H2,1-2H3,(H2,25,29)
InChIKeyZCKNTLWUSYQAHK-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.67
Rot. Bonds7

About 2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 142751927) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID142751927
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)OCC1CCN(c2ccc(Cc3nc4ccccn4c3C(N)=O)cc2)CC1
InChIInChI=1S/C24H30N4O2/c1-17(2)30-16-19-10-13-27(14-11-19)20-8-6-18(7-9-20)15-21-23(24(25)29)28-12-4-3-5-22(28)26-21/h3-9,12,17,19H,10-11,13-16H2,1-2H3,(H2,25,29)
InChIKeyZCKNTLWUSYQAHK-UHFFFAOYSA-N
XLogP3.67
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 142751927) is 2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CC(C)OCC1CCN(c2ccc(Cc3nc4ccccn4c3C(N)=O)cc2)CC1.
What is the InChIKey of 2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZCKNTLWUSYQAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-17(2)30-16-19-10-13-27(14-11-19)20-8-6-18(7-9-20)15-21-23(24(25)29)28-12-4-3-5-22(28)26-21/h3-9,12,17,19H,10-11,13-16H2,1-2H3,(H2,25,29).
What are the key properties of 2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 142751927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).