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

C30H25FN6O2 — CID 137115316

IUPAC2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H25FN6O2/c1-37(2)16-29(39)33-21-9-19(14-32-15-21)17-6-7-27-25(11-17)30(36-35-27)28-13-24-23(4-3-5-26(24)34-28)18-8-20(31)12-22(38)10-18/h3-15,34,38H,16H2,1-2H3,(H,33,39)(H,35,36)
InChIKeyBFQMVDLJCNLLEE-UHFFFAOYSA-N
MW520.57 g/mol
LogP5.78
Rot. Bonds6

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

2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 137115316) has the molecular formula C30H25FN6O2 and a molecular weight of 520.57 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
PubChem CID137115316
Molecular FormulaC30H25FN6O2
Molecular Weight520.57 g/mol
Exact Mass520.20
IUPAC Name2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H25FN6O2/c1-37(2)16-29(39)33-21-9-19(14-32-15-21)17-6-7-27-25(11-17)30(36-35-27)28-13-24-23(4-3-5-26(24)34-28)18-8-20(31)12-22(38)10-18/h3-15,34,38H,16H2,1-2H3,(H,33,39)(H,35,36)
InChIKeyBFQMVDLJCNLLEE-UHFFFAOYSA-N
XLogP5.78
TPSA109.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.57
LogP ≤ 55.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide (CID 137115316) is 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide is CN(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The InChIKey is BFQMVDLJCNLLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN6O2/c1-37(2)16-29(39)33-21-9-19(14-32-15-21)17-6-7-27-25(11-17)30(36-35-27)28-13-24-23(4-3-5-26(24)34-28)18-8-20(31)12-22(38)10-18/h3-15,34,38H,16H2,1-2H3,(H,33,39)(H,35,36).
What are the key properties of 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 520.57 g/mol, XLogP of 5.78, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137115316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).