N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

C22H18N4O4 — CID 16820366

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C22H18N4O4/c1-25-12-16(21(27)23-14-7-8-18-19(11-14)30-10-9-29-18)20-17(13-25)22(28)26(24-20)15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H,23,27)
InChIKeyOIGRUUGDESDVMR-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.70
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 16820366) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID16820366
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C22H18N4O4/c1-25-12-16(21(27)23-14-7-8-18-19(11-14)30-10-9-29-18)20-17(13-25)22(28)26(24-20)15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H,23,27)
InChIKeyOIGRUUGDESDVMR-UHFFFAOYSA-N
XLogP2.70
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (CID 16820366) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is Cn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2nn(-c3ccccc3)c(=O)c-2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is OIGRUUGDESDVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-25-12-16(21(27)23-14-7-8-18-19(11-14)30-10-9-29-18)20-17(13-25)22(28)26(24-20)15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H,23,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 16820366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).