N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

C30H24FN5O2 — CID 137116064

IUPACN-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H24FN5O2/c1-16(2)30(38)33-21-9-19(14-32-15-21)17-6-7-27-25(11-17)29(36-35-27)28-13-24-23(4-3-5-26(24)34-28)18-8-20(31)12-22(37)10-18/h3-16,34,37H,1-2H3,(H,33,38)(H,35,36)
InChIKeyPTZCKLCKHSVZLG-UHFFFAOYSA-N
MW505.55 g/mol
LogP6.88
Rot. Bonds5

About N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 137116064) has the molecular formula C30H24FN5O2 and a molecular weight of 505.55 g/mol. Its IUPAC name is N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
PubChem CID137116064
Molecular FormulaC30H24FN5O2
Molecular Weight505.55 g/mol
Exact Mass505.19
IUPAC NameN-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H24FN5O2/c1-16(2)30(38)33-21-9-19(14-32-15-21)17-6-7-27-25(11-17)29(36-35-27)28-13-24-23(4-3-5-26(24)34-28)18-8-20(31)12-22(37)10-18/h3-16,34,37H,1-2H3,(H,33,38)(H,35,36)
InChIKeyPTZCKLCKHSVZLG-UHFFFAOYSA-N
XLogP6.88
TPSA106.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.55
LogP ≤ 56.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (CID 137116064) is N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
The InChIKey is PTZCKLCKHSVZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN5O2/c1-16(2)30(38)33-21-9-19(14-32-15-21)17-6-7-27-25(11-17)29(36-35-27)28-13-24-23(4-3-5-26(24)34-28)18-8-20(31)12-22(37)10-18/h3-16,34,37H,1-2H3,(H,33,38)(H,35,36).
What are the key properties of N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 505.55 g/mol, XLogP of 6.88, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 137116064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).