N-(3-chloro-4-phthalazin-1-yloxyphenyl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C24H17ClN6O2 — CID 136576110

IUPACN-(3-chloro-4-phthalazin-1-yloxyphenyl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cncc(C(=O)Nc3ccc(Oc4nncc5ccccc45)c(Cl)c3)c2)cn1
InChIInChI=1S/C24H17ClN6O2/c1-31-14-18(13-28-31)16-8-17(11-26-10-16)23(32)29-19-6-7-22(21(25)9-19)33-24-20-5-3-2-4-15(20)12-27-30-24/h2-14H,1H3,(H,29,32)
InChIKeyCLWOAVRHLDSULL-UHFFFAOYSA-N
MW456.89 g/mol
LogP5.12
Rot. Bonds5

About N-(3-chloro-4-phthalazin-1-yloxyphenyl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

N-(3-chloro-4-phthalazin-1-yloxyphenyl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 136576110) has the molecular formula C24H17ClN6O2 and a molecular weight of 456.89 g/mol. Its IUPAC name is N-(3-chloro-4-phthalazin-1-yloxyphenyl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-phthalazin-1-yloxyphenyl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID136576110
Molecular FormulaC24H17ClN6O2
Molecular Weight456.89 g/mol
Exact Mass456.11
IUPAC NameN-(3-chloro-4-phthalazin-1-yloxyphenyl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cncc(C(=O)Nc3ccc(Oc4nncc5ccccc45)c(Cl)c3)c2)cn1
InChIInChI=1S/C24H17ClN6O2/c1-31-14-18(13-28-31)16-8-17(11-26-10-16)23(32)29-19-6-7-22(21(25)9-19)33-24-20-5-3-2-4-15(20)12-27-30-24/h2-14H,1H3,(H,29,32)
InChIKeyCLWOAVRHLDSULL-UHFFFAOYSA-N
XLogP5.12
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.89
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-Chloro-4-methoxyphenylamino)-7-(pyridin-4-yl)quinoline-3-carboxamide
CID 44444470
N-(8-chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609748
N-(5-chloro-6-methoxypyridin-3-yl)-1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609765
N-(8-chloro-4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609855
N-(5-chloro-6-((1-methylpiperidin-4-yl)oxy)pyridin-3-yl)-1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134610136
N-(8-chloro-4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134610295
N-(3-Chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)-5-(piperidin-4-YL)-1H-pyrazole-4-carboxamide
CID 6622766
N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-8-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610119
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511535
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512143
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512449
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518362

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-phthalazin-1-yloxyphenyl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-phthalazin-1-yloxyphenyl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 136576110) is N-(3-chloro-4-phthalazin-1-yloxyphenyl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-phthalazin-1-yloxyphenyl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-phthalazin-1-yloxyphenyl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(-c2cncc(C(=O)Nc3ccc(Oc4nncc5ccccc45)c(Cl)c3)c2)cn1.
What is the InChIKey of N-(3-chloro-4-phthalazin-1-yloxyphenyl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is CLWOAVRHLDSULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN6O2/c1-31-14-18(13-28-31)16-8-17(11-26-10-16)23(32)29-19-6-7-22(21(25)9-19)33-24-20-5-3-2-4-15(20)12-27-30-24/h2-14H,1H3,(H,29,32).
What are the key properties of N-(3-chloro-4-phthalazin-1-yloxyphenyl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
N-(3-chloro-4-phthalazin-1-yloxyphenyl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 456.89 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-phthalazin-1-yloxyphenyl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 136576110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).