(2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one

C28H30F2N8O — CID 130196706

IUPAC(2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)[C@@H](C)N(C)C)C5)ncc3F)cc2n1C1CC1
InChIInChI=1S/C28H30F2N8O/c1-15(36(3)4)27(39)37-10-9-22-17(14-37)5-8-24(33-22)34-28-31-13-21(30)25(35-28)18-11-20(29)26-23(12-18)38(16(2)32-26)19-6-7-19/h5,8,11-13,15,19H,6-7,9-10,14H2,1-4H3,(H,31,33,34,35)/t15-/m1/s1
InChIKeyIIHKFIWSMAISST-OAHLLOKOSA-N
MW532.60 g/mol
LogP4.39
Rot. Bonds6

About (2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one

(2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one (PubChem CID 130196706) has the molecular formula C28H30F2N8O and a molecular weight of 532.60 g/mol. Its IUPAC name is (2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one
PubChem CID130196706
Molecular FormulaC28H30F2N8O
Molecular Weight532.60 g/mol
Exact Mass532.25
IUPAC Name(2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)[C@@H](C)N(C)C)C5)ncc3F)cc2n1C1CC1
InChIInChI=1S/C28H30F2N8O/c1-15(36(3)4)27(39)37-10-9-22-17(14-37)5-8-24(33-22)34-28-31-13-21(30)25(35-28)18-11-20(29)26-23(12-18)38(16(2)32-26)19-6-7-19/h5,8,11-13,15,19H,6-7,9-10,14H2,1-4H3,(H,31,33,34,35)/t15-/m1/s1
InChIKeyIIHKFIWSMAISST-OAHLLOKOSA-N
XLogP4.39
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.60
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one 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 (2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one?
The IUPAC name of (2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one (CID 130196706) is (2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one.
What is the SMILES notation for (2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one?
The canonical SMILES for (2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one is Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)[C@@H](C)N(C)C)C5)ncc3F)cc2n1C1CC1.
What is the InChIKey of (2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one?
The InChIKey is IIHKFIWSMAISST-OAHLLOKOSA-N. The full InChI is InChI=1S/C28H30F2N8O/c1-15(36(3)4)27(39)37-10-9-22-17(14-37)5-8-24(33-22)34-28-31-13-21(30)25(35-28)18-11-20(29)26-23(12-18)38(16(2)32-26)19-6-7-19/h5,8,11-13,15,19H,6-7,9-10,14H2,1-4H3,(H,31,33,34,35)/t15-/m1/s1.
What are the key properties of (2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one?
(2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one has a molecular weight of 532.60 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-(dimethylamino)propan-1-one is sourced from PubChem (CID 130196706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).