6-[4-[2-(dimethylamino)propan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C25H29N5O3 — CID 59020027

IUPAC6-[4-[2-(dimethylamino)propan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)N(C)C)cc2)CC3)cc1
InChIInChI=1S/C25H29N5O3/c1-25(2,28(3)4)16-6-8-17(9-7-16)29-15-14-20-21(23(26)31)27-30(22(20)24(29)32)18-10-12-19(33-5)13-11-18/h6-13H,14-15H2,1-5H3,(H2,26,31)
InChIKeyZGGNTVNEXCGDOE-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.98
Rot. Bonds6

About 6-[4-[2-(dimethylamino)propan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

6-[4-[2-(dimethylamino)propan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 59020027) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 6-[4-[2-(dimethylamino)propan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-(dimethylamino)propan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID59020027
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name6-[4-[2-(dimethylamino)propan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)N(C)C)cc2)CC3)cc1
InChIInChI=1S/C25H29N5O3/c1-25(2,28(3)4)16-6-8-17(9-7-16)29-15-14-20-21(23(26)31)27-30(22(20)24(29)32)18-10-12-19(33-5)13-11-18/h6-13H,14-15H2,1-5H3,(H2,26,31)
InChIKeyZGGNTVNEXCGDOE-UHFFFAOYSA-N
XLogP2.98
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(dimethylamino)propan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[2-(dimethylamino)propan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 59020027) is 6-[4-[2-(dimethylamino)propan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-(dimethylamino)propan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[2-(dimethylamino)propan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)N(C)C)cc2)CC3)cc1.
What is the InChIKey of 6-[4-[2-(dimethylamino)propan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is ZGGNTVNEXCGDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-25(2,28(3)4)16-6-8-17(9-7-16)29-15-14-20-21(23(26)31)27-30(22(20)24(29)32)18-10-12-19(33-5)13-11-18/h6-13H,14-15H2,1-5H3,(H2,26,31).
What are the key properties of 6-[4-[2-(dimethylamino)propan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[4-[2-(dimethylamino)propan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(dimethylamino)propan-2-yl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 59020027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).