N-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide

C27H22FN7OS — CID 137014596

IUPACN-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(F)s6)c5[nH]4)c3c2)c1
InChIInChI=1S/C27H22FN7OS/c1-27(2,3)26(36)31-16-10-15(12-29-13-16)14-4-5-19-18(11-14)23(35-34-19)25-32-22-17(8-9-30-24(22)33-25)20-6-7-21(28)37-20/h4-13H,1-3H3,(H,31,36)(H,34,35)(H,30,32,33)
InChIKeyDFVKEYYIJWSLCG-UHFFFAOYSA-N
MW511.59 g/mol
LogP6.42
Rot. Bonds4

About N-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide

N-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 137014596) has the molecular formula C27H22FN7OS and a molecular weight of 511.59 g/mol. Its IUPAC name is N-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID137014596
Molecular FormulaC27H22FN7OS
Molecular Weight511.59 g/mol
Exact Mass511.16
IUPAC NameN-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(F)s6)c5[nH]4)c3c2)c1
InChIInChI=1S/C27H22FN7OS/c1-27(2,3)26(36)31-16-10-15(12-29-13-16)14-4-5-19-18(11-14)23(35-34-19)25-32-22-17(8-9-30-24(22)33-25)20-6-7-21(28)37-20/h4-13H,1-3H3,(H,31,36)(H,34,35)(H,30,32,33)
InChIKeyDFVKEYYIJWSLCG-UHFFFAOYSA-N
XLogP6.42
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.59
LogP ≤ 56.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide 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 N-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide (CID 137014596) is N-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6ccc(F)s6)c5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is DFVKEYYIJWSLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN7OS/c1-27(2,3)26(36)31-16-10-15(12-29-13-16)14-4-5-19-18(11-14)23(35-34-19)25-32-22-17(8-9-30-24(22)33-25)20-6-7-21(28)37-20/h4-13H,1-3H3,(H,31,36)(H,34,35)(H,30,32,33).
What are the key properties of N-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
N-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 511.59 g/mol, XLogP of 6.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 137014596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).