5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol

C30H27FN6O — CID 137115498

IUPAC5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESCN(C)CCNc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1
InChIInChI=1S/C30H27FN6O/c1-37(2)9-8-33-22-11-19(10-21(31)14-22)24-4-3-5-27-25(24)15-29(34-27)30-26-13-18(6-7-28(26)35-36-30)20-12-23(38)17-32-16-20/h3-7,10-17,33-34,38H,8-9H2,1-2H3,(H,35,36)
InChIKeyGNZOTJZNFBUGKC-UHFFFAOYSA-N
MW506.59 g/mol
LogP6.26
Rot. Bonds7

About 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol

5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol (PubChem CID 137115498) has the molecular formula C30H27FN6O and a molecular weight of 506.59 g/mol. Its IUPAC name is 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol
PubChem CID137115498
Molecular FormulaC30H27FN6O
Molecular Weight506.59 g/mol
Exact Mass506.22
IUPAC Name5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESCN(C)CCNc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1
InChIInChI=1S/C30H27FN6O/c1-37(2)9-8-33-22-11-19(10-21(31)14-22)24-4-3-5-27-25(24)15-29(34-27)30-26-13-18(6-7-28(26)35-36-30)20-12-23(38)17-32-16-20/h3-7,10-17,33-34,38H,8-9H2,1-2H3,(H,35,36)
InChIKeyGNZOTJZNFBUGKC-UHFFFAOYSA-N
XLogP6.26
TPSA92.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.59
LogP ≤ 56.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol (CID 137115498) is 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol is CN(C)CCNc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1.
What is the InChIKey of 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The InChIKey is GNZOTJZNFBUGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O/c1-37(2)9-8-33-22-11-19(10-21(31)14-22)24-4-3-5-27-25(24)15-29(34-27)30-26-13-18(6-7-28(26)35-36-30)20-12-23(38)17-32-16-20/h3-7,10-17,33-34,38H,8-9H2,1-2H3,(H,35,36).
What are the key properties of 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol has a molecular weight of 506.59 g/mol, XLogP of 6.26, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 137115498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).