2-N-[(dimethylamino)methyl]-2-N-(3,3-dimethylpiperidin-4-yl)-5-N-[(2-methylcyclohexa-2,4-dien-1-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide

C27H38N6O2 — CID 143685650

IUPAC2-N-[(dimethylamino)methyl]-2-N-(3,3-dimethylpiperidin-4-yl)-5-N-[(2-methylcyclohexa-2,4-dien-1-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
SMILESCC1=CC=CCC1CNC(=O)c1cccc2nc(C(=O)N(CN(C)C)C3CCNCC3(C)C)cn12
InChIInChI=1S/C27H38N6O2/c1-19-9-6-7-10-20(19)15-29-25(34)22-11-8-12-24-30-21(16-32(22)24)26(35)33(18-31(4)5)23-13-14-28-17-27(23,2)3/h6-9,11-12,16,20,23,28H,10,13-15,17-18H2,1-5H3,(H,29,34)
InChIKeyFSFPQTOSCHPJCQ-UHFFFAOYSA-N
MW478.64 g/mol
LogP2.94
Rot. Bonds7

About 2-N-[(dimethylamino)methyl]-2-N-(3,3-dimethylpiperidin-4-yl)-5-N-[(2-methylcyclohexa-2,4-dien-1-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide

2-N-[(dimethylamino)methyl]-2-N-(3,3-dimethylpiperidin-4-yl)-5-N-[(2-methylcyclohexa-2,4-dien-1-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide (PubChem CID 143685650) has the molecular formula C27H38N6O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 2-N-[(dimethylamino)methyl]-2-N-(3,3-dimethylpiperidin-4-yl)-5-N-[(2-methylcyclohexa-2,4-dien-1-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[(dimethylamino)methyl]-2-N-(3,3-dimethylpiperidin-4-yl)-5-N-[(2-methylcyclohexa-2,4-dien-1-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
PubChem CID143685650
Molecular FormulaC27H38N6O2
Molecular Weight478.64 g/mol
Exact Mass478.31
IUPAC Name2-N-[(dimethylamino)methyl]-2-N-(3,3-dimethylpiperidin-4-yl)-5-N-[(2-methylcyclohexa-2,4-dien-1-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
SMILESCC1=CC=CCC1CNC(=O)c1cccc2nc(C(=O)N(CN(C)C)C3CCNCC3(C)C)cn12
InChIInChI=1S/C27H38N6O2/c1-19-9-6-7-10-20(19)15-29-25(34)22-11-8-12-24-30-21(16-32(22)24)26(35)33(18-31(4)5)23-13-14-28-17-27(23,2)3/h6-9,11-12,16,20,23,28H,10,13-15,17-18H2,1-5H3,(H,29,34)
InChIKeyFSFPQTOSCHPJCQ-UHFFFAOYSA-N
XLogP2.94
TPSA81.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(dimethylamino)methyl]-2-N-(3,3-dimethylpiperidin-4-yl)-5-N-[(2-methylcyclohexa-2,4-dien-1-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-[(dimethylamino)methyl]-2-N-(3,3-dimethylpiperidin-4-yl)-5-N-[(2-methylcyclohexa-2,4-dien-1-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide (CID 143685650) is 2-N-[(dimethylamino)methyl]-2-N-(3,3-dimethylpiperidin-4-yl)-5-N-[(2-methylcyclohexa-2,4-dien-1-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[(dimethylamino)methyl]-2-N-(3,3-dimethylpiperidin-4-yl)-5-N-[(2-methylcyclohexa-2,4-dien-1-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-[(dimethylamino)methyl]-2-N-(3,3-dimethylpiperidin-4-yl)-5-N-[(2-methylcyclohexa-2,4-dien-1-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide is CC1=CC=CCC1CNC(=O)c1cccc2nc(C(=O)N(CN(C)C)C3CCNCC3(C)C)cn12.
What is the InChIKey of 2-N-[(dimethylamino)methyl]-2-N-(3,3-dimethylpiperidin-4-yl)-5-N-[(2-methylcyclohexa-2,4-dien-1-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide?
The InChIKey is FSFPQTOSCHPJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O2/c1-19-9-6-7-10-20(19)15-29-25(34)22-11-8-12-24-30-21(16-32(22)24)26(35)33(18-31(4)5)23-13-14-28-17-27(23,2)3/h6-9,11-12,16,20,23,28H,10,13-15,17-18H2,1-5H3,(H,29,34).
What are the key properties of 2-N-[(dimethylamino)methyl]-2-N-(3,3-dimethylpiperidin-4-yl)-5-N-[(2-methylcyclohexa-2,4-dien-1-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide?
2-N-[(dimethylamino)methyl]-2-N-(3,3-dimethylpiperidin-4-yl)-5-N-[(2-methylcyclohexa-2,4-dien-1-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide has a molecular weight of 478.64 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(dimethylamino)methyl]-2-N-(3,3-dimethylpiperidin-4-yl)-5-N-[(2-methylcyclohexa-2,4-dien-1-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 143685650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).