tert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C30H37N5O2 — CID 163882930

IUPACtert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cccc(-c2nc3n(c2C2=CC(C4=CCN(C(=O)OC(C)(C)C)CC4)N(C)C=C2)C2CCC3C2)n1
InChIInChI=1S/C30H37N5O2/c1-19-7-6-8-24(31-19)26-27(35-23-10-9-22(17-23)28(35)32-26)21-11-14-33(5)25(18-21)20-12-15-34(16-13-20)29(36)37-30(2,3)4/h6-8,11-12,14,18,22-23,25H,9-10,13,15-17H2,1-5H3
InChIKeyPUVWYFPQPWVMTE-UHFFFAOYSA-N
MW499.66 g/mol
LogP5.85
Rot. Bonds3

About tert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 163882930) has the molecular formula C30H37N5O2 and a molecular weight of 499.66 g/mol. Its IUPAC name is tert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID163882930
Molecular FormulaC30H37N5O2
Molecular Weight499.66 g/mol
Exact Mass499.29
IUPAC Nametert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cccc(-c2nc3n(c2C2=CC(C4=CCN(C(=O)OC(C)(C)C)CC4)N(C)C=C2)C2CCC3C2)n1
InChIInChI=1S/C30H37N5O2/c1-19-7-6-8-24(31-19)26-27(35-23-10-9-22(17-23)28(35)32-26)21-11-14-33(5)25(18-21)20-12-15-34(16-13-20)29(36)37-30(2,3)4/h6-8,11-12,14,18,22-23,25H,9-10,13,15-17H2,1-5H3
InChIKeyPUVWYFPQPWVMTE-UHFFFAOYSA-N
XLogP5.85
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane
CID 156743783
1-[4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]phenyl]-2-(oxan-4-yl)ethanone
CID 157103661
tert-butyl 4-[4-[4-cyclopropyl-5-[2-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,2,4-triazol-3-yl]-3-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170665255
tert-butyl 4-stannyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 174476603
tert-butyl 4-(1-methyl-4,5-diphenylimidazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 177339499
tert-butyl 2-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-2H-pyridine-1-carboxylate
CID 87623171
tert-butyl (1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
CID 67116757
tert-butyl 4-[2-fluoro-6-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 118483528
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009
tert-butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53415310
tert-butyl 4-[6-[hydroxy(methyl)amino]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 123296836
tert-butyl 4-[3-fluoro-4-[5-[2-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-triazol-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170665462

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 163882930) is tert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1cccc(-c2nc3n(c2C2=CC(C4=CCN(C(=O)OC(C)(C)C)CC4)N(C)C=C2)C2CCC3C2)n1.
What is the InChIKey of tert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is PUVWYFPQPWVMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O2/c1-19-7-6-8-24(31-19)26-27(35-23-10-9-22(17-23)28(35)32-26)21-11-14-33(5)25(18-21)20-12-15-34(16-13-20)29(36)37-30(2,3)4/h6-8,11-12,14,18,22-23,25H,9-10,13,15-17H2,1-5H3.
What are the key properties of tert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 499.66 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-methyl-4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2H-pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 163882930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).