tert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium

C28H38N7O2U- — CID 170635476

IUPACtert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium
SMILES[H]/[C-]=C(\NC(/C=C(\C=C)NC(=O)OC(C)(C)C)=C(\C)C(C)CC)c1cnn2cc(C(=C/N)/C=N/C)ncc12.[U]
InChIInChI=1S/C28H38N7O2.U/c1-10-18(3)19(4)24(12-22(11-2)34-27(36)37-28(6,7)8)33-20(5)23-15-32-35-17-25(31-16-26(23)35)21(13-29)14-30-9;/h5,11-18,33H,2,10,29H2,1,3-4,6-9H3,(H,34,36);/q-1;/b21-13+,22-12+,24-19+,30-14+;
InChIKeyJPZVCYTWGDWHLX-GHFXHFKTSA-N
MW742.69 g/mol
LogP5.01
Rot. Bonds10

About tert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium

tert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium (PubChem CID 170635476) has the molecular formula C28H38N7O2U- and a molecular weight of 742.69 g/mol. Its IUPAC name is tert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium.

Molecular Properties

Compound Nametert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium
PubChem CID170635476
Molecular FormulaC28H38N7O2U-
Molecular Weight742.69 g/mol
Exact Mass742.36
IUPAC Nametert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium
SMILES[H]/[C-]=C(\NC(/C=C(\C=C)NC(=O)OC(C)(C)C)=C(\C)C(C)CC)c1cnn2cc(C(=C/N)/C=N/C)ncc12.[U]
InChIInChI=1S/C28H38N7O2.U/c1-10-18(3)19(4)24(12-22(11-2)34-27(36)37-28(6,7)8)33-20(5)23-15-32-35-17-25(31-16-26(23)35)21(13-29)14-30-9;/h5,11-18,33H,2,10,29H2,1,3-4,6-9H3,(H,34,36);/q-1;/b21-13+,22-12+,24-19+,30-14+;
InChIKeyJPZVCYTWGDWHLX-GHFXHFKTSA-N
XLogP5.01
TPSA118.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.69
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze tert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium 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

2-[4-[1-[3-ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine
CID 149231458
tert-butyl N-[(E)-1-amino-3-oxoprop-1-en-2-yl]carbamate
CID 45092432
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
CID 107243083
tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate
CID 114717278
tert-butyl N-(2-oxohex-3-en-3-yl)carbamate
CID 87528852
tert-butyl N-[5-(1-methylsulfonylpropan-2-ylamino)-2-pyridinyl]carbamate
CID 103936587
[(3S)-pent-1-en-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174331482
tert-butyl N-[1-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazol-4-yl]carbamate
CID 131734075
tert-butyl N-[1-(propylideneamino)ethenyl]carbamate
CID 174088644
tert-butyl N-[(2E,4E)-4-[(3-amino-5-ethyl-2-pyridinyl)sulfanylmethyl]hepta-2,4,6-trien-2-yl]carbamate
CID 135218573
tert-butyl N-(2,6-dimethylhept-5-enoyl)carbamate
CID 101433047
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
CID 136575644

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium?
The IUPAC name of tert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium (CID 170635476) is tert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium.
What is the SMILES notation for tert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium?
The canonical SMILES for tert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium is [H]/[C-]=C(\NC(/C=C(\C=C)NC(=O)OC(C)(C)C)=C(\C)C(C)CC)c1cnn2cc(C(=C/N)/C=N/C)ncc12.[U].
What is the InChIKey of tert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium?
The InChIKey is JPZVCYTWGDWHLX-GHFXHFKTSA-N. The full InChI is InChI=1S/C28H38N7O2.U/c1-10-18(3)19(4)24(12-22(11-2)34-27(36)37-28(6,7)8)33-20(5)23-15-32-35-17-25(31-16-26(23)35)21(13-29)14-30-9;/h5,11-18,33H,2,10,29H2,1,3-4,6-9H3,(H,34,36);/q-1;/b21-13+,22-12+,24-19+,30-14+;.
What are the key properties of tert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium?
tert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium has a molecular weight of 742.69 g/mol, XLogP of 5.01, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3E,5E)-5-[1-[6-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]pyrazolo[1,5-a]pyrazin-3-yl]ethenylamino]-6,7-dimethylnona-1,3,5-trien-3-yl]carbamate;uranium is sourced from PubChem (CID 170635476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).