3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole

C26H20FN5O — CID 137088656

IUPAC3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cnn(C)c6)cc45)cc23)c1
InChIInChI=1S/C26H20FN5O/c1-32-14-17(13-28-32)15-6-7-24-22(10-15)26(31-30-24)25-12-21-20(4-3-5-23(21)29-25)16-8-18(27)11-19(9-16)33-2/h3-14,29H,1-2H3,(H,30,31)
InChIKeyKRKJRNWMVNXFNY-UHFFFAOYSA-N
MW437.48 g/mol
LogP5.93
Rot. Bonds4

About 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole

3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole (PubChem CID 137088656) has the molecular formula C26H20FN5O and a molecular weight of 437.48 g/mol. Its IUPAC name is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
PubChem CID137088656
Molecular FormulaC26H20FN5O
Molecular Weight437.48 g/mol
Exact Mass437.17
IUPAC Name3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cnn(C)c6)cc45)cc23)c1
InChIInChI=1S/C26H20FN5O/c1-32-14-17(13-28-32)15-6-7-24-22(10-15)26(31-30-24)25-12-21-20(4-3-5-23(21)29-25)16-8-18(27)11-19(9-16)33-2/h3-14,29H,1-2H3,(H,30,31)
InChIKeyKRKJRNWMVNXFNY-UHFFFAOYSA-N
XLogP5.93
TPSA71.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.48
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

A-443654
CID 10172943
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-2-methylphenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731662
5-{5-[(2S)-2-amino-3-(2-methyl-1H-indol-3-yl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 23647002
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(trifluoromethyl)-1H-indazole
CID 23647432
(S)-1-(5-(3-ethyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 10150925
(S)-1-(1H-indol-3-yl)-3-(5-(3-phenyl-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 10217131
(S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine
CID 11611566
(S)-1-(5-(3-(1H-pyrrol-2-yl)-1H-indazol-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 135443345
7-Methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 135469330
N-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734116

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole?
The IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole (CID 137088656) is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole?
The canonical SMILES for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole is COc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cnn(C)c6)cc45)cc23)c1.
What is the InChIKey of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole?
The InChIKey is KRKJRNWMVNXFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O/c1-32-14-17(13-28-32)15-6-7-24-22(10-15)26(31-30-24)25-12-21-20(4-3-5-23(21)29-25)16-8-18(27)11-19(9-16)33-2/h3-14,29H,1-2H3,(H,30,31).
What are the key properties of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole?
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole has a molecular weight of 437.48 g/mol, XLogP of 5.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 137088656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).