1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C27H27N7O3 — CID 86299951

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCN(C)Cc1nccn1-c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc5c(c4)CCO5)c3C2=O)cc1
InChIInChI=1S/C27H27N7O3/c1-31(2)16-23-29-11-13-32(23)18-3-5-19(6-4-18)33-12-9-21-24(26(28)35)30-34(25(21)27(33)36)20-7-8-22-17(15-20)10-14-37-22/h3-8,11,13,15H,9-10,12,14,16H2,1-2H3,(H2,28,35)
InChIKeyGAHSVUBMNIMWRW-UHFFFAOYSA-N
MW497.56 g/mol
LogP2.36
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 86299951) has the molecular formula C27H27N7O3 and a molecular weight of 497.56 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID86299951
Molecular FormulaC27H27N7O3
Molecular Weight497.56 g/mol
Exact Mass497.22
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCN(C)Cc1nccn1-c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc5c(c4)CCO5)c3C2=O)cc1
InChIInChI=1S/C27H27N7O3/c1-31(2)16-23-29-11-13-32(23)18-3-5-19(6-4-18)33-12-9-21-24(26(28)35)30-34(25(21)27(33)36)20-7-8-22-17(15-20)10-14-37-22/h3-8,11,13,15H,9-10,12,14,16H2,1-2H3,(H2,28,35)
InChIKeyGAHSVUBMNIMWRW-UHFFFAOYSA-N
XLogP2.36
TPSA111.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 86299951) is 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is CN(C)Cc1nccn1-c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc5c(c4)CCO5)c3C2=O)cc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is GAHSVUBMNIMWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3/c1-31(2)16-23-29-11-13-32(23)18-3-5-19(6-4-18)33-12-9-21-24(26(28)35)30-34(25(21)27(33)36)20-7-8-22-17(15-20)10-14-37-22/h3-8,11,13,15H,9-10,12,14,16H2,1-2H3,(H2,28,35).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-6-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 86299951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).