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

C29H22FN5O2 — CID 137115886

IUPACN-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C29H22FN5O2/c1-2-28(37)32-20-9-18(14-31-15-20)16-6-7-26-24(11-16)29(35-34-26)27-13-23-22(4-3-5-25(23)33-27)17-8-19(30)12-21(36)10-17/h3-15,33,36H,2H2,1H3,(H,32,37)(H,34,35)
InChIKeyNALDUHFWCDHEBG-UHFFFAOYSA-N
MW491.53 g/mol
LogP6.63
Rot. Bonds5

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

N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 137115886) has the molecular formula C29H22FN5O2 and a molecular weight of 491.53 g/mol. Its IUPAC name is N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
PubChem CID137115886
Molecular FormulaC29H22FN5O2
Molecular Weight491.53 g/mol
Exact Mass491.18
IUPAC NameN-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C29H22FN5O2/c1-2-28(37)32-20-9-18(14-31-15-20)16-6-7-26-24(11-16)29(35-34-26)27-13-23-22(4-3-5-25(23)33-27)17-8-19(30)12-21(36)10-17/h3-15,33,36H,2H2,1H3,(H,32,37)(H,34,35)
InChIKeyNALDUHFWCDHEBG-UHFFFAOYSA-N
XLogP6.63
TPSA106.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.53
LogP ≤ 56.63
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]propanamide?
The IUPAC name of N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (CID 137115886) is N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is CCC(=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]propanamide?
The InChIKey is NALDUHFWCDHEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22FN5O2/c1-2-28(37)32-20-9-18(14-31-15-20)16-6-7-26-24(11-16)29(35-34-26)27-13-23-22(4-3-5-25(23)33-27)17-8-19(30)12-21(36)10-17/h3-15,33,36H,2H2,1H3,(H,32,37)(H,34,35).
What are the key properties of N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 491.53 g/mol, XLogP of 6.63, 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]propanamide is sourced from PubChem (CID 137115886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).