N-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

C22H22N4O4 — CID 18570553

IUPACN-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOCCCn1cc(C(=O)NCc2ccco2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C22H22N4O4/c1-29-11-6-10-25-14-18(21(27)23-13-17-9-5-12-30-17)20-19(15-25)22(28)26(24-20)16-7-3-2-4-8-16/h2-5,7-9,12,14-15H,6,10-11,13H2,1H3,(H,23,27)
InChIKeyNDLWRGUIZMVMEV-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.70
Rot. Bonds8

About N-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

N-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 18570553) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID18570553
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOCCCn1cc(C(=O)NCc2ccco2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C22H22N4O4/c1-29-11-6-10-25-14-18(21(27)23-13-17-9-5-12-30-17)20-19(15-25)22(28)26(24-20)16-7-3-2-4-8-16/h2-5,7-9,12,14-15H,6,10-11,13H2,1H3,(H,23,27)
InChIKeyNDLWRGUIZMVMEV-UHFFFAOYSA-N
XLogP2.70
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-methoxypropyl)-7-(3-methylpiperidine-1-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one
CID 18570545
methyl 5-[3-(dimethylamino)propyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495612
5-benzyl-N-[(2-methoxyphenyl)methyl]-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570512
N-(furan-2-ylmethyl)-2-[3-(3-methoxypropyl)-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]acetamide
CID 53131709
N-(4-ethylphenyl)-3-oxo-2-phenyl-5-propylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570396
N-(4-methoxyphenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 16801788
5-ethyl-N-(2-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570321
5-ethyl-N-(2-methoxy-5-methylphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570345
5-benzyl-N-(3-methoxyphenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570534
4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045256
methyl 5-benzyl-2-(4-methoxyphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495834
4-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 46149671

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (CID 18570553) is N-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is COCCCn1cc(C(=O)NCc2ccco2)c2nn(-c3ccccc3)c(=O)c-2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is NDLWRGUIZMVMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-29-11-6-10-25-14-18(21(27)23-13-17-9-5-12-30-17)20-19(15-25)22(28)26(24-20)16-7-3-2-4-8-16/h2-5,7-9,12,14-15H,6,10-11,13H2,1H3,(H,23,27).
What are the key properties of N-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
N-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(3-methoxypropyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 18570553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).