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

C25H27N5O3 — CID 44581199

IUPAC6-[4-[1-(dimethylamino)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(N(C)C)CC4)cc2)CC3)cc1
InChIInChI=1S/C25H27N5O3/c1-28(2)25(13-14-25)16-4-6-17(7-5-16)29-15-12-20-21(23(26)31)27-30(22(20)24(29)32)18-8-10-19(33-3)11-9-18/h4-11H,12-15H2,1-3H3,(H2,26,31)
InChIKeyGIKRSGUYKJEHMZ-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.73
Rot. Bonds6

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

6-[4-[1-(dimethylamino)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 44581199) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 6-[4-[1-(dimethylamino)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[1-(dimethylamino)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID44581199
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name6-[4-[1-(dimethylamino)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(N(C)C)CC4)cc2)CC3)cc1
InChIInChI=1S/C25H27N5O3/c1-28(2)25(13-14-25)16-4-6-17(7-5-16)29-15-12-20-21(23(26)31)27-30(22(20)24(29)32)18-8-10-19(33-3)11-9-18/h4-11H,12-15H2,1-3H3,(H2,26,31)
InChIKeyGIKRSGUYKJEHMZ-UHFFFAOYSA-N
XLogP2.73
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(dimethylamino)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[1-(dimethylamino)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 44581199) is 6-[4-[1-(dimethylamino)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[1-(dimethylamino)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[1-(dimethylamino)cyclopropyl]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(C4(N(C)C)CC4)cc2)CC3)cc1.
What is the InChIKey of 6-[4-[1-(dimethylamino)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is GIKRSGUYKJEHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-28(2)25(13-14-25)16-4-6-17(7-5-16)29-15-12-20-21(23(26)31)27-30(22(20)24(29)32)18-8-10-19(33-3)11-9-18/h4-11H,12-15H2,1-3H3,(H2,26,31).
What are the key properties of 6-[4-[1-(dimethylamino)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[4-[1-(dimethylamino)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(dimethylamino)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 44581199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).