N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide

C23H19ClN6O3 — CID 118458354

IUPACN-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
SMILESNc1nccc(Oc2ccc(NC(=O)c3c4n(n(-c5ccccc5)c3=O)CCC4)nc2)c1Cl
InChIInChI=1S/C23H19ClN6O3/c24-20-17(10-11-26-21(20)25)33-15-8-9-18(27-13-15)28-22(31)19-16-7-4-12-29(16)30(23(19)32)14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H2,25,26)(H,27,28,31)
InChIKeyLZRXIFLYFOOUDZ-UHFFFAOYSA-N
MW462.90 g/mol
LogP3.66
Rot. Bonds5

About N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide

N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide (PubChem CID 118458354) has the molecular formula C23H19ClN6O3 and a molecular weight of 462.90 g/mol. Its IUPAC name is N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
PubChem CID118458354
Molecular FormulaC23H19ClN6O3
Molecular Weight462.90 g/mol
Exact Mass462.12
IUPAC NameN-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
SMILESNc1nccc(Oc2ccc(NC(=O)c3c4n(n(-c5ccccc5)c3=O)CCC4)nc2)c1Cl
InChIInChI=1S/C23H19ClN6O3/c24-20-17(10-11-26-21(20)25)33-15-8-9-18(27-13-15)28-22(31)19-16-7-4-12-29(16)30(23(19)32)14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H2,25,26)(H,27,28,31)
InChIKeyLZRXIFLYFOOUDZ-UHFFFAOYSA-N
XLogP3.66
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.90
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-2-chloro-5-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-chlorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 159574600
2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
CID 151835323
1-(2,2-dimethylpropyl)-N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 160606209
N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-2-chloro-5-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-3-chlorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-2-deuteriophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;N-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 158677239
N-[2-[(2-amino-4-pyridinyl)oxy]phenyl]-2-oxo-1-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 118453383
benzoic acid;[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] (2S)-2-aminopropanoate
CID 46937601
N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 44516532
(2S,3R)-2-amino-4-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]-2,3-dimethylbutanoic acid;(Z)-but-2-enedioic acid
CID 68743606
3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide
CID 73051075
[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] (2S)-2-aminopropanoate;hydrochloride
CID 66669934
[(2R)-1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-aminoacetate
CID 66670758
acetic acid;N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 155278187

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
The IUPAC name of N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide (CID 118458354) is N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide.
What is the SMILES notation for N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
The canonical SMILES for N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide is Nc1nccc(Oc2ccc(NC(=O)c3c4n(n(-c5ccccc5)c3=O)CCC4)nc2)c1Cl.
What is the InChIKey of N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
The InChIKey is LZRXIFLYFOOUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O3/c24-20-17(10-11-26-21(20)25)33-15-8-9-18(27-13-15)28-22(31)19-16-7-4-12-29(16)30(23(19)32)14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H2,25,26)(H,27,28,31).
What are the key properties of N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide has a molecular weight of 462.90 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]-2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide is sourced from PubChem (CID 118458354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).