4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole

C24H19FN4O2 — CID 137113612

IUPAC4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole
SMILESCOc1cncc(-c2cc(-c3cc4c(-c5cc(F)cc(OC)c5)cccc4[nH]3)[nH]n2)c1
InChIInChI=1S/C24H19FN4O2/c1-30-17-7-14(6-16(25)9-17)19-4-3-5-21-20(19)10-23(27-21)24-11-22(28-29-24)15-8-18(31-2)13-26-12-15/h3-13,27H,1-2H3,(H,28,29)
InChIKeyMGTZQZIERBFXLG-UHFFFAOYSA-N
MW414.44 g/mol
LogP5.44
Rot. Bonds5

About 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole

4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole (PubChem CID 137113612) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole
PubChem CID137113612
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole
SMILESCOc1cncc(-c2cc(-c3cc4c(-c5cc(F)cc(OC)c5)cccc4[nH]3)[nH]n2)c1
InChIInChI=1S/C24H19FN4O2/c1-30-17-7-14(6-16(25)9-17)19-4-3-5-21-20(19)10-23(27-21)24-11-22(28-29-24)15-8-18(31-2)13-26-12-15/h3-13,27H,1-2H3,(H,28,29)
InChIKeyMGTZQZIERBFXLG-UHFFFAOYSA-N
XLogP5.44
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.44
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

A-443654
CID 10172943
A-674563
CID 11314340
5-{5-[(2S)-2-amino-3-(3-iodophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16733025
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 11327794
3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 16040274
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-chloro-1H-indazole
CID 23647431
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H-indazole
CID 10126464
5-{5-[(2S)-2-amino-3-(5-fluoro-2-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731499
5-{5-[(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731501
5-{5-[(2S)-2-amino-3-[2-(trifluoromethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731503
5-{5-[(2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731505

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole?
The IUPAC name of 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole (CID 137113612) is 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole.
What is the SMILES notation for 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole?
The canonical SMILES for 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole is COc1cncc(-c2cc(-c3cc4c(-c5cc(F)cc(OC)c5)cccc4[nH]3)[nH]n2)c1.
What is the InChIKey of 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole?
The InChIKey is MGTZQZIERBFXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c1-30-17-7-14(6-16(25)9-17)19-4-3-5-21-20(19)10-23(27-21)24-11-22(28-29-24)15-8-18(31-2)13-26-12-15/h3-13,27H,1-2H3,(H,28,29).
What are the key properties of 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole?
4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole has a molecular weight of 414.44 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methoxyphenyl)-2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole is sourced from PubChem (CID 137113612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).