5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol

C27H19FN4O — CID 137308448

IUPAC5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1
InChIInChI=1S/C27H19FN4O/c1-15-7-17(9-19(28)8-15)21-3-2-4-24-22(21)12-26(30-24)27-23-11-16(5-6-25(23)31-32-27)18-10-20(33)14-29-13-18/h2-14,30,33H,1H3,(H,31,32)
InChIKeyQXPGNBBLPDWGBM-UHFFFAOYSA-N
MW434.47 g/mol
LogP6.59
Rot. Bonds3

About 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol

5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol (PubChem CID 137308448) has the molecular formula C27H19FN4O and a molecular weight of 434.47 g/mol. Its IUPAC name is 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol
PubChem CID137308448
Molecular FormulaC27H19FN4O
Molecular Weight434.47 g/mol
Exact Mass434.15
IUPAC Name5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol
SMILESCc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1
InChIInChI=1S/C27H19FN4O/c1-15-7-17(9-19(28)8-15)21-3-2-4-24-22(21)12-26(30-24)27-23-11-16(5-6-25(23)31-32-27)18-10-20(33)14-29-13-18/h2-14,30,33H,1H3,(H,31,32)
InChIKeyQXPGNBBLPDWGBM-UHFFFAOYSA-N
XLogP6.59
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 56.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137308415
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137308428
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137308433
3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]phenol
CID 137115754
3-[2-[5-(3-aminophenyl)-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol
CID 137088879
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137116095
3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole
CID 145252101
3-[4-(3-fluorophenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole
CID 137310690
5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 137111858
5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 137114145
3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole
CID 137308443
3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]-5-fluorophenol
CID 137310693

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol (CID 137308448) is 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol is Cc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(O)c6)cc45)cc23)c1.
What is the InChIKey of 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
The InChIKey is QXPGNBBLPDWGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN4O/c1-15-7-17(9-19(28)8-15)21-3-2-4-24-22(21)12-26(30-24)27-23-11-16(5-6-25(23)31-32-27)18-10-20(33)14-29-13-18/h2-14,30,33H,1H3,(H,31,32).
What are the key properties of 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol?
5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol has a molecular weight of 434.47 g/mol, XLogP of 6.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 137308448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).