2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine

C35H32FN7S — CID 145037493

IUPAC2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine
SMILESCNC1C=C(c2nn(C)c3cc(C)c(-c4cncc(CNCc5ccccc5)c4)c(F)c23)Nc2cncc(-c3ccsc3)c21
InChIInChI=1S/C35H32FN7S/c1-21-11-30-33(34(36)31(21)25-12-23(16-39-17-25)15-38-14-22-7-5-4-6-8-22)35(42-43(30)3)28-13-27(37-2)32-26(24-9-10-44-20-24)18-40-19-29(32)41-28/h4-13,16-20,27,37-38,41H,14-15H2,1-3H3
InChIKeyRKRQWMNTGJYWSF-UHFFFAOYSA-N
MW601.76 g/mol
LogP7.22
Rot. Bonds8

About 2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine

2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine (PubChem CID 145037493) has the molecular formula C35H32FN7S and a molecular weight of 601.76 g/mol. Its IUPAC name is 2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine.

Molecular Properties

Compound Name2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine
PubChem CID145037493
Molecular FormulaC35H32FN7S
Molecular Weight601.76 g/mol
Exact Mass601.24
IUPAC Name2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine
SMILESCNC1C=C(c2nn(C)c3cc(C)c(-c4cncc(CNCc5ccccc5)c4)c(F)c23)Nc2cncc(-c3ccsc3)c21
InChIInChI=1S/C35H32FN7S/c1-21-11-30-33(34(36)31(21)25-12-23(16-39-17-25)15-38-14-22-7-5-4-6-8-22)35(42-43(30)3)28-13-27(37-2)32-26(24-9-10-44-20-24)18-40-19-29(32)41-28/h4-13,16-20,27,37-38,41H,14-15H2,1-3H3
InChIKeyRKRQWMNTGJYWSF-UHFFFAOYSA-N
XLogP7.22
TPSA79.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.76
LogP ≤ 57.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]ethanethioamide
CID 155562494
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-thiophen-3-yl-4-pyridinyl)quinolin-4-amine
CID 164628856
1-phenyl-N-[[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137116466
2-Phenyl-4-(1-piperidin-4-ylpyrazol-3-yl)-8-thiophen-2-ylquinoline
CID 162650545
N-[(1-propan-2-yl-6-thiophen-3-ylindazol-5-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 171343898
US10246456, Example 282
CID 118664215
(1S)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 171359881
1-(4-Fluorophenyl)-3-(4-methylsulfinylphenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinoline
CID 16733959
N-[[1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]methyl]piperidin-4-amine
CID 16733962
4-[2-(5-Methylsulfanylthiophen-2-yl)piperidin-1-yl]-6-[3-(trifluoromethyl)-1-tritylpyrazol-4-yl]quinoline
CID 22032266
5-(5-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-2-fluoro-6'-(1-methyl-1H-pyrazol-4-yl)-[3,4]bipyridinyl-3'-ylamine
CID 58266370
1-(4-Fluorophenyl)-3-(4-methylsulfanylphenyl)-5-(3-pyridyl)pyrazolo[3,4-f]isoquinoline
CID 69256048

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine?
The IUPAC name of 2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine (CID 145037493) is 2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine.
What is the SMILES notation for 2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine?
The canonical SMILES for 2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine is CNC1C=C(c2nn(C)c3cc(C)c(-c4cncc(CNCc5ccccc5)c4)c(F)c23)Nc2cncc(-c3ccsc3)c21.
What is the InChIKey of 2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine?
The InChIKey is RKRQWMNTGJYWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32FN7S/c1-21-11-30-33(34(36)31(21)25-12-23(16-39-17-25)15-38-14-22-7-5-4-6-8-22)35(42-43(30)3)28-13-27(37-2)32-26(24-9-10-44-20-24)18-40-19-29(32)41-28/h4-13,16-20,27,37-38,41H,14-15H2,1-3H3.
What are the key properties of 2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine?
2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine has a molecular weight of 601.76 g/mol, XLogP of 7.22, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-4-fluoro-1,6-dimethylindazol-3-yl]-N-methyl-5-thiophen-3-yl-1,4-dihydro-1,7-naphthyridin-4-amine is sourced from PubChem (CID 145037493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).