1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide

C24H18FN5O2 — CID 166467832

IUPAC1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1Oc1ccnc2[nH]ccc12
InChIInChI=1S/C24H18FN5O2/c1-15-2-5-17(14-22(15)32-21-9-12-27-23-19(21)8-11-26-23)28-24(31)20-10-13-30(29-20)18-6-3-16(25)4-7-18/h2-14H,1H3,(H,26,27)(H,28,31)
InChIKeyJPODNIIGDXWSDN-UHFFFAOYSA-N
MW427.44 g/mol
LogP5.24
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide (PubChem CID 166467832) has the molecular formula C24H18FN5O2 and a molecular weight of 427.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide
PubChem CID166467832
Molecular FormulaC24H18FN5O2
Molecular Weight427.44 g/mol
Exact Mass427.14
IUPAC Name1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1Oc1ccnc2[nH]ccc12
InChIInChI=1S/C24H18FN5O2/c1-15-2-5-17(14-22(15)32-21-9-12-27-23-19(21)8-11-26-23)28-24(31)20-10-13-30(29-20)18-6-3-16(25)4-7-18/h2-14H,1H3,(H,26,27)(H,28,31)
InChIKeyJPODNIIGDXWSDN-UHFFFAOYSA-N
XLogP5.24
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.44
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CID 141481088
1-(3-chloro-4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CID 141481094
N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-(propylamino)acetamide
CID 59819825
1-(3-chloro-4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-methyltriazole-4-carboxamide
CID 127030562
5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
CID 21081774
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38735899
N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38825065
N'-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(3-methoxyphenyl)propanediamide
CID 58799072
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide;trihydrochloride
CID 91826514
N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 39908296
1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-[2-hydroxyethyl(methyl)amino]-5-(methylideneamino)-6-methylsulfanyl-2-oxopyridine-3-carboxamide
CID 126547154

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide (CID 166467832) is 1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1Oc1ccnc2[nH]ccc12.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide?
The InChIKey is JPODNIIGDXWSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O2/c1-15-2-5-17(14-22(15)32-21-9-12-27-23-19(21)8-11-26-23)28-24(31)20-10-13-30(29-20)18-6-3-16(25)4-7-18/h2-14H,1H3,(H,26,27)(H,28,31).
What are the key properties of 1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide has a molecular weight of 427.44 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 166467832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).