N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

C23H26N6O2 — CID 67107294

IUPACN-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cccc(CN(CCN(C)C)C(=O)c2cnc3ccc(-c4cn[nH]c4)cn23)c1
InChIInChI=1S/C23H26N6O2/c1-27(2)9-10-28(15-17-5-4-6-20(11-17)31-3)23(30)21-14-24-22-8-7-18(16-29(21)22)19-12-25-26-13-19/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,25,26)
InChIKeyDBESKPMKFKONRU-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.94
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67107294) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67107294
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cccc(CN(CCN(C)C)C(=O)c2cnc3ccc(-c4cn[nH]c4)cn23)c1
InChIInChI=1S/C23H26N6O2/c1-27(2)9-10-28(15-17-5-4-6-20(11-17)31-3)23(30)21-14-24-22-8-7-18(16-29(21)22)19-12-25-26-13-19/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,25,26)
InChIKeyDBESKPMKFKONRU-UHFFFAOYSA-N
XLogP2.94
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 67107294) is N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is COc1cccc(CN(CCN(C)C)C(=O)c2cnc3ccc(-c4cn[nH]c4)cn23)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DBESKPMKFKONRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-27(2)9-10-28(15-17-5-4-6-20(11-17)31-3)23(30)21-14-24-22-8-7-18(16-29(21)22)19-12-25-26-13-19/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,25,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67107294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).