2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide

C26H30FN5O — CID 118274081

IUPAC2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide
SMILESCN1C=C2C(=C(C3=CCN(CC(=O)N(C)C)CC3(C)C)C1)NN=C1C=Cc3cc(F)cc2c31
InChIInChI=1S/C26H30FN5O/c1-26(2)15-32(14-23(33)30(3)4)9-8-21(26)20-13-31(5)12-19-18-11-17(27)10-16-6-7-22(24(16)18)28-29-25(19)20/h6-8,10-12,29H,9,13-15H2,1-5H3
InChIKeySRDPZYSQQSVSQC-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.06
Rot. Bonds3

About 2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide

2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide (PubChem CID 118274081) has the molecular formula C26H30FN5O and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide
PubChem CID118274081
Molecular FormulaC26H30FN5O
Molecular Weight447.56 g/mol
Exact Mass447.24
IUPAC Name2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide
SMILESCN1C=C2C(=C(C3=CCN(CC(=O)N(C)C)CC3(C)C)C1)NN=C1C=Cc3cc(F)cc2c31
InChIInChI=1S/C26H30FN5O/c1-26(2)15-32(14-23(33)30(3)4)9-8-21(26)20-13-31(5)12-19-18-11-17(27)10-16-6-7-22(24(16)18)28-29-25(19)20/h6-8,10-12,29H,9,13-15H2,1-5H3
InChIKeySRDPZYSQQSVSQC-UHFFFAOYSA-N
XLogP3.06
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide 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 2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide (CID 118274081) is 2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide is CN1C=C2C(=C(C3=CCN(CC(=O)N(C)C)CC3(C)C)C1)NN=C1C=Cc3cc(F)cc2c31.
What is the InChIKey of 2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide?
The InChIKey is SRDPZYSQQSVSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O/c1-26(2)15-32(14-23(33)30(3)4)9-8-21(26)20-13-31(5)12-19-18-11-17(27)10-16-6-7-22(24(16)18)28-29-25(19)20/h6-8,10-12,29H,9,13-15H2,1-5H3.
What are the key properties of 2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide?
2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide has a molecular weight of 447.56 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaen-6-yl)-3,3-dimethyl-2,6-dihydropyridin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 118274081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).