2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide

C29H24FN7O2 — CID 137114312

IUPAC2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C29H24FN7O2/c1-37(2)15-27(39)33-20-8-18(13-31-14-20)16-3-4-25-22(10-16)29(36-35-25)26-12-23-24(34-26)5-6-32-28(23)17-7-19(30)11-21(38)9-17/h3-14,34,38H,15H2,1-2H3,(H,33,39)(H,35,36)
InChIKeyOUJDJYZEVIPFJG-UHFFFAOYSA-N
MW521.56 g/mol
LogP5.18
Rot. Bonds6

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

2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 137114312) has the molecular formula C29H24FN7O2 and a molecular weight of 521.56 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
PubChem CID137114312
Molecular FormulaC29H24FN7O2
Molecular Weight521.56 g/mol
Exact Mass521.20
IUPAC Name2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
SMILESCN(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C29H24FN7O2/c1-37(2)15-27(39)33-20-8-18(13-31-14-20)16-3-4-25-22(10-16)29(36-35-25)26-12-23-24(34-26)5-6-32-28(23)17-7-19(30)11-21(38)9-17/h3-14,34,38H,15H2,1-2H3,(H,33,39)(H,35,36)
InChIKeyOUJDJYZEVIPFJG-UHFFFAOYSA-N
XLogP5.18
TPSA122.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.56
LogP ≤ 55.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide (CID 137114312) is 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[3,2-c]pyridin-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-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide is CN(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
The InChIKey is OUJDJYZEVIPFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN7O2/c1-37(2)15-27(39)33-20-8-18(13-31-14-20)16-3-4-25-22(10-16)29(36-35-25)26-12-23-24(34-26)5-6-32-28(23)17-7-19(30)11-21(38)9-17/h3-14,34,38H,15H2,1-2H3,(H,33,39)(H,35,36).
What are the key properties of 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide?
2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 521.56 g/mol, XLogP of 5.18, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137114312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).