N'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide

C24H25N7O4 — CID 130216242

IUPACN'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide
SMILES[H]/N=C(\N)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(NC(=O)CCC(N)=O)cc1)C2=O
InChIInChI=1S/C24H25N7O4/c1-35-17-8-6-16(7-9-17)31-22-18(21(29-31)23(26)27)12-13-30(24(22)34)15-4-2-14(3-5-15)28-20(33)11-10-19(25)32/h2-9H,10-13H2,1H3,(H2,25,32)(H3,26,27)(H,28,33)
InChIKeyRXQKGIUKNSORPG-UHFFFAOYSA-N
MW475.51 g/mol
LogP1.57
Rot. Bonds8

About N'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide

N'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide (PubChem CID 130216242) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is N'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide.

Molecular Properties

Compound NameN'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide
PubChem CID130216242
Molecular FormulaC24H25N7O4
Molecular Weight475.51 g/mol
Exact Mass475.20
IUPAC NameN'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide
SMILES[H]/N=C(\N)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(NC(=O)CCC(N)=O)cc1)C2=O
InChIInChI=1S/C24H25N7O4/c1-35-17-8-6-16(7-9-17)31-22-18(21(29-31)23(26)27)12-13-30(24(22)34)15-4-2-14(3-5-15)28-20(33)11-10-19(25)32/h2-9H,10-13H2,1H3,(H2,25,32)(H3,26,27)(H,28,33)
InChIKeyRXQKGIUKNSORPG-UHFFFAOYSA-N
XLogP1.57
TPSA169.42 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000319
4-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]anilino]butanoic acid
CID 163203151
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-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
6-[4-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N-hydroxyanilino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 126495801
1-(4-ethoxyphenyl)-6-[4-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 154453925
methyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 175673444
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
N,N-dideuterio-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 25208012
1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000409
tert-butyl N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]carbamate
CID 23635751

Frequently Asked Questions

What is the IUPAC name of N'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide?
The IUPAC name of N'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide (CID 130216242) is N'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide.
What is the SMILES notation for N'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide?
The canonical SMILES for N'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide is [H]/N=C(\N)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(NC(=O)CCC(N)=O)cc1)C2=O.
What is the InChIKey of N'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide?
The InChIKey is RXQKGIUKNSORPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-35-17-8-6-16(7-9-17)31-22-18(21(29-31)23(26)27)12-13-30(24(22)34)15-4-2-14(3-5-15)28-20(33)11-10-19(25)32/h2-9H,10-13H2,1H3,(H2,25,32)(H3,26,27)(H,28,33).
What are the key properties of N'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide?
N'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide has a molecular weight of 475.51 g/mol, XLogP of 1.57, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[3-carbamimidoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]butanediamide is sourced from PubChem (CID 130216242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).