ILFFTTUGGQUCPP-FTJBHMTQSA-N

C29H29N7 — CID 46240282

IUPAC(11R,15S)-8-methyl-N-phenyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-5-amine
SMILESCN1Cc2c(nn(Cc3ccc(-c4ccccn4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12
InChIInChI=1S/C29H29N7/c1-34-19-23-27(31-22-8-3-2-4-9-22)35(33-28(23)36-26-12-7-11-25(26)32-29(34)36)18-20-13-15-21(16-14-20)24-10-5-6-17-30-24/h2-6,8-10,13-17,25-26,31H,7,11-12,18-19H2,1H3/t25-,26+/m1/s1
InChIKeyILFFTTUGGQUCPP-FTJBHMTQSA-N
MW475.60 g/mol
LogP5.28
Rot. Bonds5

About ILFFTTUGGQUCPP-FTJBHMTQSA-N

ILFFTTUGGQUCPP-FTJBHMTQSA-N (PubChem CID 46240282) has the molecular formula C29H29N7 and a molecular weight of 475.60 g/mol. Its IUPAC name is (11R,15S)-8-methyl-N-phenyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-5-amine.

Molecular Properties

Compound NameILFFTTUGGQUCPP-FTJBHMTQSA-N
PubChem CID46240282
Molecular FormulaC29H29N7
Molecular Weight475.60 g/mol
Exact Mass475.25
IUPAC Name(11R,15S)-8-methyl-N-phenyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-5-amine
SMILESCN1Cc2c(nn(Cc3ccc(-c4ccccn4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12
InChIInChI=1S/C29H29N7/c1-34-19-23-27(31-22-8-3-2-4-9-22)35(33-28(23)36-26-12-7-11-25(26)32-29(34)36)18-20-13-15-21(16-14-20)24-10-5-6-17-30-24/h2-6,8-10,13-17,25-26,31H,7,11-12,18-19H2,1H3/t25-,26+/m1/s1
InChIKeyILFFTTUGGQUCPP-FTJBHMTQSA-N
XLogP5.28
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ILFFTTUGGQUCPP-FTJBHMTQSA-N 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 ILFFTTUGGQUCPP-FTJBHMTQSA-N?
The IUPAC name of ILFFTTUGGQUCPP-FTJBHMTQSA-N (CID 46240282) is (11R,15S)-8-methyl-N-phenyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-5-amine.
What is the SMILES notation for ILFFTTUGGQUCPP-FTJBHMTQSA-N?
The canonical SMILES for ILFFTTUGGQUCPP-FTJBHMTQSA-N is CN1Cc2c(nn(Cc3ccc(-c4ccccn4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12.
What is the InChIKey of ILFFTTUGGQUCPP-FTJBHMTQSA-N?
The InChIKey is ILFFTTUGGQUCPP-FTJBHMTQSA-N. The full InChI is InChI=1S/C29H29N7/c1-34-19-23-27(31-22-8-3-2-4-9-22)35(33-28(23)36-26-12-7-11-25(26)32-29(34)36)18-20-13-15-21(16-14-20)24-10-5-6-17-30-24/h2-6,8-10,13-17,25-26,31H,7,11-12,18-19H2,1H3/t25-,26+/m1/s1.
What are the key properties of ILFFTTUGGQUCPP-FTJBHMTQSA-N?
ILFFTTUGGQUCPP-FTJBHMTQSA-N has a molecular weight of 475.60 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ILFFTTUGGQUCPP-FTJBHMTQSA-N is sourced from PubChem (CID 46240282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).