5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine

C30H26FN5O — CID 137088876

IUPAC5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(C)C)c6)cc45)cc23)c1
InChIInChI=1S/C30H26FN5O/c1-17(2)33-22-10-20(15-32-16-22)18-7-8-28-26(12-18)30(36-35-28)29-14-25-24(5-4-6-27(25)34-29)19-9-21(31)13-23(11-19)37-3/h4-17,33-34H,1-3H3,(H,35,36)
InChIKeyGXAWEGSEZUREDA-UHFFFAOYSA-N
MW491.57 g/mol
LogP7.41
Rot. Bonds6

About 5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine

5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine (PubChem CID 137088876) has the molecular formula C30H26FN5O and a molecular weight of 491.57 g/mol. Its IUPAC name is 5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
PubChem CID137088876
Molecular FormulaC30H26FN5O
Molecular Weight491.57 g/mol
Exact Mass491.21
IUPAC Name5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(C)C)c6)cc45)cc23)c1
InChIInChI=1S/C30H26FN5O/c1-17(2)33-22-10-20(15-32-16-22)18-7-8-28-26(12-18)30(36-35-28)29-14-25-24(5-4-6-27(25)34-29)19-9-21(31)13-23(11-19)37-3/h4-17,33-34H,1-3H3,(H,35,36)
InChIKeyGXAWEGSEZUREDA-UHFFFAOYSA-N
XLogP7.41
TPSA78.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.57
LogP ≤ 57.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine?
The IUPAC name of 5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine (CID 137088876) is 5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for 5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine is COc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(C)C)c6)cc45)cc23)c1.
What is the InChIKey of 5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine?
The InChIKey is GXAWEGSEZUREDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5O/c1-17(2)33-22-10-20(15-32-16-22)18-7-8-28-26(12-18)30(36-35-28)29-14-25-24(5-4-6-27(25)34-29)19-9-21(31)13-23(11-19)37-3/h4-17,33-34H,1-3H3,(H,35,36).
What are the key properties of 5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine?
5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine has a molecular weight of 491.57 g/mol, XLogP of 7.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 137088876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).