2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide

C24H25F2N5O — CID 118274142

IUPAC2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide
SMILESCN1C=C2C(=C(C3=CCN(CC(=O)N(C)C)CC3)C1)NN=C1C=C(F)c3cc(F)cc2c31
InChIInChI=1S/C24H25F2N5O/c1-29(2)22(32)13-31-6-4-14(5-7-31)18-11-30(3)12-19-16-8-15(25)9-17-20(26)10-21(23(16)17)27-28-24(18)19/h4,8-10,12,28H,5-7,11,13H2,1-3H3
InChIKeyPCFLUXRDBZZPKB-UHFFFAOYSA-N
MW437.49 g/mol
LogP2.72
Rot. Bonds3

About 2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide

2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide (PubChem CID 118274142) has the molecular formula C24H25F2N5O and a molecular weight of 437.49 g/mol. Its IUPAC name is 2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide
PubChem CID118274142
Molecular FormulaC24H25F2N5O
Molecular Weight437.49 g/mol
Exact Mass437.20
IUPAC Name2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide
SMILESCN1C=C2C(=C(C3=CCN(CC(=O)N(C)C)CC3)C1)NN=C1C=C(F)c3cc(F)cc2c31
InChIInChI=1S/C24H25F2N5O/c1-29(2)22(32)13-31-6-4-14(5-7-31)18-11-30(3)12-19-16-8-15(25)9-17-20(26)10-21(23(16)17)27-28-24(18)19/h4,8-10,12,28H,5-7,11,13H2,1-3H3
InChIKeyPCFLUXRDBZZPKB-UHFFFAOYSA-N
XLogP2.72
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide (CID 118274142) is 2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide is CN1C=C2C(=C(C3=CCN(CC(=O)N(C)C)CC3)C1)NN=C1C=C(F)c3cc(F)cc2c31.
What is the InChIKey of 2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide?
The InChIKey is PCFLUXRDBZZPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O/c1-29(2)22(32)13-31-6-4-14(5-7-31)18-11-30(3)12-19-16-8-15(25)9-17-20(26)10-21(23(16)17)27-28-24(18)19/h4,8-10,12,28H,5-7,11,13H2,1-3H3.
What are the key properties of 2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide?
2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide has a molecular weight of 437.49 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(12,15-difluoro-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)-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 118274142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).