7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C30H32N8O2 — CID 53262153

IUPAC7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cc(C)n(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5ccc(CN(C)C)o5)ccn34)c12
InChIInChI=1S/C30H32N8O2/c1-6-23-29-24(8-7-9-25(29)38(34-23)17-21-14-19(2)36(5)33-21)32-30(39)26-16-31-28-15-20(12-13-37(26)28)27-11-10-22(40-27)18-35(3)4/h7-16H,6,17-18H2,1-5H3,(H,32,39)
InChIKeyHUKITRXOTUDTJK-UHFFFAOYSA-N
MW536.64 g/mol
LogP4.91
Rot. Bonds8

About 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53262153) has the molecular formula C30H32N8O2 and a molecular weight of 536.64 g/mol. Its IUPAC name is 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53262153
Molecular FormulaC30H32N8O2
Molecular Weight536.64 g/mol
Exact Mass536.26
IUPAC Name7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cc(C)n(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5ccc(CN(C)C)o5)ccn34)c12
InChIInChI=1S/C30H32N8O2/c1-6-23-29-24(8-7-9-25(29)38(34-23)17-21-14-19(2)36(5)33-21)32-30(39)26-16-31-28-15-20(12-13-37(26)28)27-11-10-22(40-27)18-35(3)4/h7-16H,6,17-18H2,1-5H3,(H,32,39)
InChIKeyHUKITRXOTUDTJK-UHFFFAOYSA-N
XLogP4.91
TPSA98.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.64
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 53262153) is 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cc(C)n(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5ccc(CN(C)C)o5)ccn34)c12.
What is the InChIKey of 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HUKITRXOTUDTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O2/c1-6-23-29-24(8-7-9-25(29)38(34-23)17-21-14-19(2)36(5)33-21)32-30(39)26-16-31-28-15-20(12-13-37(26)28)27-11-10-22(40-27)18-35(3)4/h7-16H,6,17-18H2,1-5H3,(H,32,39).
What are the key properties of 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 536.64 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(dimethylamino)methyl]furan-2-yl]-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53262153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).