4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid

C27H29F3N6O5 — CID 11848461

IUPAC4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(C(=O)N(C)C2CCN(C)C2)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C25H28N6O3.C2HF3O2/c1-14-22-17(11-20(28-14)25(33)31(3)15-7-9-30(2)13-15)23(18(12-27-22)24(26)32)29-19-5-4-6-21-16(19)8-10-34-21;3-2(4,5)1(6)7/h4-6,11-12,15H,7-10,13H2,1-3H3,(H2,26,32)(H,27,29);(H,6,7)
InChIKeyPKQUNEBZMCQSBG-UHFFFAOYSA-N
MW574.56 g/mol
LogP3.13
Rot. Bonds5

About 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid

4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 11848461) has the molecular formula C27H29F3N6O5 and a molecular weight of 574.56 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid
PubChem CID11848461
Molecular FormulaC27H29F3N6O5
Molecular Weight574.56 g/mol
Exact Mass574.22
IUPAC Name4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(C(=O)N(C)C2CCN(C)C2)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C25H28N6O3.C2HF3O2/c1-14-22-17(11-20(28-14)25(33)31(3)15-7-9-30(2)13-15)23(18(12-27-22)24(26)32)29-19-5-4-6-21-16(19)8-10-34-21;3-2(4,5)1(6)7/h4-6,11-12,15H,7-10,13H2,1-3H3,(H2,26,32)(H,27,29);(H,6,7)
InChIKeyPKQUNEBZMCQSBG-UHFFFAOYSA-N
XLogP3.13
TPSA150.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.56
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid 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 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid (CID 11848461) is 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid is Cc1nc(C(=O)N(C)C2CCN(C)C2)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is PKQUNEBZMCQSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3.C2HF3O2/c1-14-22-17(11-20(28-14)25(33)31(3)15-7-9-30(2)13-15)23(18(12-27-22)24(26)32)29-19-5-4-6-21-16(19)8-10-34-21;3-2(4,5)1(6)7/h4-6,11-12,15H,7-10,13H2,1-3H3,(H2,26,32)(H,27,29);(H,6,7).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid?
4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 574.56 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11848461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).