1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C25H27N5O5 — CID 154453925

IUPAC1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(NC(=O)C(C)(C)O)cc2)CC3)cc1
InChIInChI=1S/C25H27N5O5/c1-4-35-18-11-9-17(10-12-18)30-21-19(20(28-30)22(26)31)13-14-29(23(21)32)16-7-5-15(6-8-16)27-24(33)25(2,3)34/h5-12,34H,4,13-14H2,1-3H3,(H2,26,31)(H,27,33)
InChIKeySKIDMFWZZUUEMG-UHFFFAOYSA-N
MW477.52 g/mol
LogP2.28
Rot. Bonds7

About 1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 154453925) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID154453925
Molecular FormulaC25H27N5O5
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(NC(=O)C(C)(C)O)cc2)CC3)cc1
InChIInChI=1S/C25H27N5O5/c1-4-35-18-11-9-17(10-12-18)30-21-19(20(28-30)22(26)31)13-14-29(23(21)32)16-7-5-15(6-8-16)27-24(33)25(2,3)34/h5-12,34H,4,13-14H2,1-3H3,(H2,26,31)(H,27,33)
InChIKeySKIDMFWZZUUEMG-UHFFFAOYSA-N
XLogP2.28
TPSA139.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]anilino]butanoic acid
CID 163203151
ethyl 6-[4-[(2-bromoacetyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 58618147
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087094
1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000319
6-[4-[1-(2-amino-2-oxoethyl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 44581328
6-[4-(3,3,4,4,5,5-hexadeuterio-2-oxopiperidin-1-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 89059700
ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 11566693
ethyl N-[[1-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]imidazol-2-yl]methyl]-N-methylcarbamate
CID 10196422
1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118929318
6-(4-aminophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-(5-bromopentanoylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;6-[4-(5-chloropentanoylamino)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 158547192
1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 59020077
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 20816131

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 154453925) is 1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is CCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(NC(=O)C(C)(C)O)cc2)CC3)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is SKIDMFWZZUUEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5/c1-4-35-18-11-9-17(10-12-18)30-21-19(20(28-30)22(26)31)13-14-29(23(21)32)16-7-5-15(6-8-16)27-24(33)25(2,3)34/h5-12,34H,4,13-14H2,1-3H3,(H2,26,31)(H,27,33).
What are the key properties of 1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 154453925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).