N,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline

C27H24N6S — CID 145037822

IUPACN,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline
SMILESCc1ccc(-c2cncc3[nH]c(-c4n[nH]c5cc(C)c(-c6cccc(N(C)C)c6)cc45)nc23)s1
InChIInChI=1S/C27H24N6S/c1-15-10-22-20(12-19(15)17-6-5-7-18(11-17)33(3)4)26(32-31-22)27-29-23-14-28-13-21(25(23)30-27)24-9-8-16(2)34-24/h5-14H,1-4H3,(H,29,30)(H,31,32)
InChIKeyROZKFUHGWZPEGZ-UHFFFAOYSA-N
MW464.60 g/mol
LogP6.58
Rot. Bonds4

About N,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline

N,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline (PubChem CID 145037822) has the molecular formula C27H24N6S and a molecular weight of 464.60 g/mol. Its IUPAC name is N,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline
PubChem CID145037822
Molecular FormulaC27H24N6S
Molecular Weight464.60 g/mol
Exact Mass464.18
IUPAC NameN,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline
SMILESCc1ccc(-c2cncc3[nH]c(-c4n[nH]c5cc(C)c(-c6cccc(N(C)C)c6)cc45)nc23)s1
InChIInChI=1S/C27H24N6S/c1-15-10-22-20(12-19(15)17-6-5-7-18(11-17)33(3)4)26(32-31-22)27-29-23-14-28-13-21(25(23)30-27)24-9-8-16(2)34-24/h5-14H,1-4H3,(H,29,30)(H,31,32)
InChIKeyROZKFUHGWZPEGZ-UHFFFAOYSA-N
XLogP6.58
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.60
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline with MolForge

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Related Compounds

7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 136600735
N,N-dimethyl-1-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136946674
5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137143000
3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CID 136942394
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;1-[5-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone
CID 158628190
1-[5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]butan-1-one
CID 166866231
5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 136946416
1-[5-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone
CID 136946696
N,N-dimethyl-5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine;2,2-dimethyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;2-methyl-N-[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 158456576
5-[4-fluoro-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 136946983
2-methyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137216818
3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136947328

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline?
The IUPAC name of N,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline (CID 145037822) is N,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline?
The canonical SMILES for N,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline is Cc1ccc(-c2cncc3[nH]c(-c4n[nH]c5cc(C)c(-c6cccc(N(C)C)c6)cc45)nc23)s1.
What is the InChIKey of N,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline?
The InChIKey is ROZKFUHGWZPEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6S/c1-15-10-22-20(12-19(15)17-6-5-7-18(11-17)33(3)4)26(32-31-22)27-29-23-14-28-13-21(25(23)30-27)24-9-8-16(2)34-24/h5-14H,1-4H3,(H,29,30)(H,31,32).
What are the key properties of N,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline?
N,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline has a molecular weight of 464.60 g/mol, XLogP of 6.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline is sourced from PubChem (CID 145037822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).