6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

C27H30FN7 — CID 158974724

IUPAC6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCCN1CCc2nc(Nc3ncc(F)c(-c4cc(C)c5nc6n(c5c4)C(C)(C)CC6)n3)ccc2C1
InChIInChI=1S/C27H30FN7/c1-5-34-11-9-20-17(15-34)6-7-22(30-20)31-26-29-14-19(28)25(33-26)18-12-16(2)24-21(13-18)35-23(32-24)8-10-27(35,3)4/h6-7,12-14H,5,8-11,15H2,1-4H3,(H,29,30,31,33)
InChIKeyKKFTVLFTEWTEHT-UHFFFAOYSA-N
MW471.58 g/mol
LogP5.14
Rot. Bonds4

About 6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (PubChem CID 158974724) has the molecular formula C27H30FN7 and a molecular weight of 471.58 g/mol. Its IUPAC name is 6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

Molecular Properties

Compound Name6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
PubChem CID158974724
Molecular FormulaC27H30FN7
Molecular Weight471.58 g/mol
Exact Mass471.25
IUPAC Name6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCCN1CCc2nc(Nc3ncc(F)c(-c4cc(C)c5nc6n(c5c4)C(C)(C)CC6)n3)ccc2C1
InChIInChI=1S/C27H30FN7/c1-5-34-11-9-20-17(15-34)6-7-22(30-20)31-26-29-14-19(28)25(33-26)18-12-16(2)24-21(13-18)35-23(32-24)8-10-27(35,3)4/h6-7,12-14H,5,8-11,15H2,1-4H3,(H,29,30,31,33)
InChIKeyKKFTVLFTEWTEHT-UHFFFAOYSA-N
XLogP5.14
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-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

Related Compounds

1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
CID 161272313
5-fluoro-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine
CID 158244154
6-ethyl-N-[5-fluoro-4-(1,1,6-trimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;1-[2-[[5-fluoro-4-(1,1,6-trimethyl-2,3-dihydropyrrolo[1,2-b]indazol-8-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone
CID 159299229
N-[5-[(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-2-pyridinyl]-5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine
CID 122657575
N-[5-[(8-ethyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-2-pyridinyl]-5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine
CID 122666506
[2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-oxoethyl] acetate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine;1-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone;[2-[2-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl] acetate
CID 157493302
N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 130196927
7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole;5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-amine;bis(N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-amine)
CID 157119897
N-[4-(3-tert-butyl-7-fluoro-2-iodobenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[2-(4-methylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 163762446
N-[5-fluoro-4-(7-fluoro-3-propan-2-ylbenzotriazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 135202520
4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylic acid
CID 135314668
N'-[2-[2-[[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 130196900

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The IUPAC name of 6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (CID 158974724) is 6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.
What is the SMILES notation for 6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The canonical SMILES for 6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is CCN1CCc2nc(Nc3ncc(F)c(-c4cc(C)c5nc6n(c5c4)C(C)(C)CC6)n3)ccc2C1.
What is the InChIKey of 6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The InChIKey is KKFTVLFTEWTEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7/c1-5-34-11-9-20-17(15-34)6-7-22(30-20)31-26-29-14-19(28)25(33-26)18-12-16(2)24-21(13-18)35-23(32-24)8-10-27(35,3)4/h6-7,12-14H,5,8-11,15H2,1-4H3,(H,29,30,31,33).
What are the key properties of 6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine has a molecular weight of 471.58 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is sourced from PubChem (CID 158974724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).