2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide

C30H29FN8O — CID 135992281

IUPAC2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)NCCc5c[nH]c6ccc(F)cc56)[nH]4)c3c2)c1C
InChIInChI=1S/C30H29FN8O/c1-3-32-12-20-13-33-15-24(17(20)2)18-4-6-26-23(10-18)28(39-38-26)29-36-16-27(37-29)30(40)34-9-8-19-14-35-25-7-5-21(31)11-22(19)25/h4-7,10-11,13-16,32,35H,3,8-9,12H2,1-2H3,(H,34,40)(H,36,37)(H,38,39)
InChIKeyAVUVXJPICUFXGY-UHFFFAOYSA-N
MW536.62 g/mol
LogP5.03
Rot. Bonds9

About 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide

2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide (PubChem CID 135992281) has the molecular formula C30H29FN8O and a molecular weight of 536.62 g/mol. Its IUPAC name is 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide
PubChem CID135992281
Molecular FormulaC30H29FN8O
Molecular Weight536.62 g/mol
Exact Mass536.24
IUPAC Name2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)NCCc5c[nH]c6ccc(F)cc56)[nH]4)c3c2)c1C
InChIInChI=1S/C30H29FN8O/c1-3-32-12-20-13-33-15-24(17(20)2)18-4-6-26-23(10-18)28(39-38-26)29-36-16-27(37-29)30(40)34-9-8-19-14-35-25-7-5-21(31)11-22(19)25/h4-7,10-11,13-16,32,35H,3,8-9,12H2,1-2H3,(H,34,40)(H,36,37)(H,38,39)
InChIKeyAVUVXJPICUFXGY-UHFFFAOYSA-N
XLogP5.03
TPSA127.17 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.62
LogP ≤ 55.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide 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-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide (CID 135992281) is 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide is CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)NCCc5c[nH]c6ccc(F)cc56)[nH]4)c3c2)c1C.
What is the InChIKey of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide?
The InChIKey is AVUVXJPICUFXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN8O/c1-3-32-12-20-13-33-15-24(17(20)2)18-4-6-26-23(10-18)28(39-38-26)29-36-16-27(37-29)30(40)34-9-8-19-14-35-25-7-5-21(31)11-22(19)25/h4-7,10-11,13-16,32,35H,3,8-9,12H2,1-2H3,(H,34,40)(H,36,37)(H,38,39).
What are the key properties of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide?
2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide has a molecular weight of 536.62 g/mol, XLogP of 5.03, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135992281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).