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

C28H32F2N8 — CID 130196688

IUPAC6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylcyclopropyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc2n1C1(C)CC1
InChIInChI=1S/C28H32F2N8/c1-17-32-26-20(29)13-19(14-23(26)38(17)28(2)8-9-28)25-21(30)15-31-27(35-25)34-24-6-5-18-16-37(12-11-36(3)4)10-7-22(18)33-24/h5-6,13-15H,7-12,16H2,1-4H3,(H,31,33,34,35)
InChIKeySPKWRLBKVPRPMT-UHFFFAOYSA-N
MW518.62 g/mol
LogP4.65
Rot. Bonds7

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

6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylcyclopropyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (PubChem CID 130196688) has the molecular formula C28H32F2N8 and a molecular weight of 518.62 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylcyclopropyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylcyclopropyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
PubChem CID130196688
Molecular FormulaC28H32F2N8
Molecular Weight518.62 g/mol
Exact Mass518.27
IUPAC Name6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylcyclopropyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc2n1C1(C)CC1
InChIInChI=1S/C28H32F2N8/c1-17-32-26-20(29)13-19(14-23(26)38(17)28(2)8-9-28)25-21(30)15-31-27(35-25)34-24-6-5-18-16-37(12-11-36(3)4)10-7-22(18)33-24/h5-6,13-15H,7-12,16H2,1-4H3,(H,31,33,34,35)
InChIKeySPKWRLBKVPRPMT-UHFFFAOYSA-N
XLogP4.65
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylcyclopropyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylcyclopropyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The IUPAC name of 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylcyclopropyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (CID 130196688) is 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylcyclopropyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylcyclopropyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylcyclopropyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc2n1C1(C)CC1.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylcyclopropyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The InChIKey is SPKWRLBKVPRPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N8/c1-17-32-26-20(29)13-19(14-23(26)38(17)28(2)8-9-28)25-21(30)15-31-27(35-25)34-24-6-5-18-16-37(12-11-36(3)4)10-7-22(18)33-24/h5-6,13-15H,7-12,16H2,1-4H3,(H,31,33,34,35).
What are the key properties of 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylcyclopropyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylcyclopropyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine has a molecular weight of 518.62 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-[7-fluoro-2-methyl-3-(1-methylcyclopropyl)benzimidazol-5-yl]pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is sourced from PubChem (CID 130196688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).