N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine

C26H29F2N7O — CID 118693641

IUPACN-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCOCCN1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)ccc2C1
InChIInChI=1S/C26H29F2N7O/c1-15(2)35-16(3)30-25-19(27)11-18(12-22(25)35)24-20(28)13-29-26(33-24)32-23-6-5-17-14-34(9-10-36-4)8-7-21(17)31-23/h5-6,11-13,15H,7-10,14H2,1-4H3,(H,29,31,32,33)
InChIKeyROMAHJZEHBXJSU-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.80
Rot. Bonds7

About N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine

N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine (PubChem CID 118693641) has the molecular formula C26H29F2N7O and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine
PubChem CID118693641
Molecular FormulaC26H29F2N7O
Molecular Weight493.56 g/mol
Exact Mass493.24
IUPAC NameN-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCOCCN1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)ccc2C1
InChIInChI=1S/C26H29F2N7O/c1-15(2)35-16(3)30-25-19(27)11-18(12-22(25)35)24-20(28)13-29-26(33-24)32-23-6-5-17-14-34(9-10-36-4)8-7-21(17)31-23/h5-6,11-13,15H,7-10,14H2,1-4H3,(H,29,31,32,33)
InChIKeyROMAHJZEHBXJSU-UHFFFAOYSA-N
XLogP4.80
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine 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-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The IUPAC name of N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine (CID 118693641) is N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine.
What is the SMILES notation for N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The canonical SMILES for N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine is COCCN1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)ccc2C1.
What is the InChIKey of N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The InChIKey is ROMAHJZEHBXJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O/c1-15(2)35-16(3)30-25-19(27)11-18(12-22(25)35)24-20(28)13-29-26(33-24)32-23-6-5-17-14-34(9-10-36-4)8-7-21(17)31-23/h5-6,11-13,15H,7-10,14H2,1-4H3,(H,29,31,32,33).
What are the key properties of N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine has a molecular weight of 493.56 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine is sourced from PubChem (CID 118693641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).