tert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate

C25H34N6O4 — CID 163278934

IUPACtert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate
SMILESC=CCCOc1nc(-c2cc([C@@H](C)N(CC)C(=O)OC(C)(C)C)ncc2OC)nn2c(C)cnc12
InChIInChI=1S/C25H34N6O4/c1-9-11-12-34-23-22-27-14-16(3)31(22)29-21(28-23)18-13-19(26-15-20(18)33-8)17(4)30(10-2)24(32)35-25(5,6)7/h9,13-15,17H,1,10-12H2,2-8H3/t17-/m1/s1
InChIKeyOWIPQSPULYAPOF-QGZVFWFLSA-N
MW482.59 g/mol
LogP4.78
Rot. Bonds9

About tert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate

tert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate (PubChem CID 163278934) has the molecular formula C25H34N6O4 and a molecular weight of 482.59 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate
PubChem CID163278934
Molecular FormulaC25H34N6O4
Molecular Weight482.59 g/mol
Exact Mass482.26
IUPAC Nametert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate
SMILESC=CCCOc1nc(-c2cc([C@@H](C)N(CC)C(=O)OC(C)(C)C)ncc2OC)nn2c(C)cnc12
InChIInChI=1S/C25H34N6O4/c1-9-11-12-34-23-22-27-14-16(3)31(22)29-21(28-23)18-13-19(26-15-20(18)33-8)17(4)30(10-2)24(32)35-25(5,6)7/h9,13-15,17H,1,10-12H2,2-8H3/t17-/m1/s1
InChIKeyOWIPQSPULYAPOF-QGZVFWFLSA-N
XLogP4.78
TPSA103.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate 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 N-[1-(4-chloro-5-fluoro-2-pyridinyl)ethyl]-N-ethylcarbamate
CID 163278312
tert-butyl N-[(1R)-1-[5-(8-but-3-enoxyimidazo[1,2-a]pyrazin-6-yl)-4-cyclopropyl-1,3-oxazol-2-yl]ethyl]-N-ethylcarbamate
CID 163278689
1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-butoxysulfanyl-N-ethylethanamine
CID 163278373
[2-[(1R)-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-pyridinyl]boronic acid
CID 163278196
(1R)-1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-methoxy-2-pyridinyl]-N-ethylethanamine
CID 163278222
1-[1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]ethyl]-3-(7,7-difluorohept-1-en-4-yl)-1-ethylurea
CID 163278715
tert-butyl N-[(1S)-2-chloro-1-hydroxyethyl]-N-[(3S)-3-methylhept-6-enyl]carbamate
CID 87895736
N-ethyl-N-[1-[5-methoxy-4-[8-[(7R)-10,10,10-trifluoro-7-(methylamino)decoxy]imidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]ethyl]formamide
CID 163278614
tert-butyl N-ethyl-N-[(1R)-1-[4-[8-[2-[6,6,6-trifluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]ethoxy]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-pyridinyl]ethyl]carbamate
CID 163278279
1-[(1S)-1-[4-(5-amino-6-methoxypyrazin-2-yl)-5-methoxy-2-pyridinyl]-2,2,2-trifluoroethyl]-1-ethyl-3-[(E)-6,6,6-trifluorohex-4-en-3-yl]urea
CID 164536494
tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
CID 10375927
2-[(2-methylpropan-2-yl)oxycarbonyl-[(2S)-pent-4-en-2-yl]amino]acetic acid
CID 134594143

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate (CID 163278934) is tert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate is C=CCCOc1nc(-c2cc([C@@H](C)N(CC)C(=O)OC(C)(C)C)ncc2OC)nn2c(C)cnc12.
What is the InChIKey of tert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate?
The InChIKey is OWIPQSPULYAPOF-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H34N6O4/c1-9-11-12-34-23-22-27-14-16(3)31(22)29-21(28-23)18-13-19(26-15-20(18)33-8)17(4)30(10-2)24(32)35-25(5,6)7/h9,13-15,17H,1,10-12H2,2-8H3/t17-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate?
tert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate has a molecular weight of 482.59 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[4-(4-but-3-enoxy-7-methylimidazo[2,1-f][1,2,4]triazin-2-yl)-5-methoxy-2-pyridinyl]ethyl]-N-ethylcarbamate is sourced from PubChem (CID 163278934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).