11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one

C27H25N5O2 — CID 148777267

IUPAC11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
SMILESC[C@H]1CC(=O)N(c2ccc(-c3cncc(-c4ccnc5c4cc4n5CCN(C)C4=O)c3)cc2)C1
InChIInChI=1S/C27H25N5O2/c1-17-11-25(33)32(16-17)21-5-3-18(4-6-21)19-12-20(15-28-14-19)22-7-8-29-26-23(22)13-24-27(34)30(2)9-10-31(24)26/h3-8,12-15,17H,9-11,16H2,1-2H3/t17-/m0/s1
InChIKeyOJPNCGLHYXCVCL-KRWDZBQOSA-N
MW451.53 g/mol
LogP4.22
Rot. Bonds3

About 11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one

11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one (PubChem CID 148777267) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one.

Molecular Properties

Compound Name11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
PubChem CID148777267
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
SMILESC[C@H]1CC(=O)N(c2ccc(-c3cncc(-c4ccnc5c4cc4n5CCN(C)C4=O)c3)cc2)C1
InChIInChI=1S/C27H25N5O2/c1-17-11-25(33)32(16-17)21-5-3-18(4-6-21)19-12-20(15-28-14-19)22-7-8-29-26-23(22)13-24-27(34)30(2)9-10-31(24)26/h3-8,12-15,17H,9-11,16H2,1-2H3/t17-/m0/s1
InChIKeyOJPNCGLHYXCVCL-KRWDZBQOSA-N
XLogP4.22
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one with MolForge

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Related Compounds

6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 153243375
11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 142612762
6-[5-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 146959028
6-[5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]-11-(pyridin-4-ylmethyl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 146829245
1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 155227317
1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 149315700
methyl 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxylate
CID 147687173
N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 147144985
CID 91609229
CID 91609229
1-(4-bromophenyl)-4-methylpyrrolidin-2-one
CID 76800077
4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 149271340
6-[5-[4-(4-cyclobutyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]-8-methyl-11-pyridin-2-yl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 148683213

Frequently Asked Questions

What is the IUPAC name of 11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one?
The IUPAC name of 11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one (CID 148777267) is 11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one.
What is the SMILES notation for 11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one?
The canonical SMILES for 11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one is C[C@H]1CC(=O)N(c2ccc(-c3cncc(-c4ccnc5c4cc4n5CCN(C)C4=O)c3)cc2)C1.
What is the InChIKey of 11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one?
The InChIKey is OJPNCGLHYXCVCL-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-17-11-25(33)32(16-17)21-5-3-18(4-6-21)19-12-20(15-28-14-19)22-7-8-29-26-23(22)13-24-27(34)30(2)9-10-31(24)26/h3-8,12-15,17H,9-11,16H2,1-2H3/t17-/m0/s1.
What are the key properties of 11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one?
11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one has a molecular weight of 451.53 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one is sourced from PubChem (CID 148777267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).